cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine

C185H389N21 — CID 158064167

IUPACcis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine
SMILESCC(C)C1(N)CCC1.CC(C)C1CC(N)C1.CC(C)C1CC(N)C1.CC(C)C1CC(N)C1.CC(C)C1CC2(CC(N)C2)C1.CC(C)C1CCC(N)C1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCCC(CN)C1.CC(C)[C@@H]1CCC[C@@H](CN)C1.CC(C)[C@@H]1CCC[C@H](CN)C1.CC(C)[C@@H]1CC[C@@H](N)C1.CC(C)[C@@H]1CC[C@H](N)C1.CC(C)[C@H]1CCC[C@@H](CN)C1.CC(C)[C@H]1CCC[C@H](CN)C1.CC(C)[C@H]1CC[C@@H](N)C1.CC(C)[C@H]1CC[C@H](N)C1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1
InChIInChI=1S/C10H19N.8C10H21N.3C9H19N.5C8H17N.4C7H15N/c1-7(2)8-3-10(4-8)5-9(11)6-10;3*1-8(2)9-4-6-10(11-3)7-5-9;5*1-8(2)10-5-3-4-9(6-10)7-11;3*1-7(2)8-3-5-9(10)6-4-8;5*1-6(2)7-3-4-8(9)5-7;3*1-5(2)6-3-7(8)4-6;1-6(2)7(8)4-3-5-7/h7-9H,3-6,11H2,1-2H3;3*8-11H,4-7H2,1-3H3;5*8-10H,3-7,11H2,1-2H3;3*7-9H,3-6,10H2,1-2H3;5*6-8H,3-5,9H2,1-2H3;3*5-7H,3-4,8H2,1-2H3;6H,3-5,8H2,1-2H3/t;;;;2*9-,10+;2*9-,10-;;;;;2*7-,8+;2*7-,8-;;;;;/m....1010....1010...../s1
InChIKeyFLAFGMQIZLYNHR-WONIIASISA-N
MW2908.29 g/mol
LogP42.45
Rot. Bonds29

About cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine

cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine (PubChem CID 158064167) has the molecular formula C185H389N21 and a molecular weight of 2908.29 g/mol. Its IUPAC name is cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine
PubChem CID158064167
Molecular FormulaC185H389N21
Molecular Weight2908.29 g/mol
Exact Mass2906.11
IUPAC Namecis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine
SMILESCC(C)C1(N)CCC1.CC(C)C1CC(N)C1.CC(C)C1CC(N)C1.CC(C)C1CC(N)C1.CC(C)C1CC2(CC(N)C2)C1.CC(C)C1CCC(N)C1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCCC(CN)C1.CC(C)[C@@H]1CCC[C@@H](CN)C1.CC(C)[C@@H]1CCC[C@H](CN)C1.CC(C)[C@@H]1CC[C@@H](N)C1.CC(C)[C@@H]1CC[C@H](N)C1.CC(C)[C@H]1CCC[C@@H](CN)C1.CC(C)[C@H]1CCC[C@H](CN)C1.CC(C)[C@H]1CC[C@@H](N)C1.CC(C)[C@H]1CC[C@H](N)C1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1
InChIInChI=1S/C10H19N.8C10H21N.3C9H19N.5C8H17N.4C7H15N/c1-7(2)8-3-10(4-8)5-9(11)6-10;3*1-8(2)9-4-6-10(11-3)7-5-9;5*1-8(2)10-5-3-4-9(6-10)7-11;3*1-7(2)8-3-5-9(10)6-4-8;5*1-6(2)7-3-4-8(9)5-7;3*1-5(2)6-3-7(8)4-6;1-6(2)7(8)4-3-5-7/h7-9H,3-6,11H2,1-2H3;3*8-11H,4-7H2,1-3H3;5*8-10H,3-7,11H2,1-2H3;3*7-9H,3-6,10H2,1-2H3;5*6-8H,3-5,9H2,1-2H3;3*5-7H,3-4,8H2,1-2H3;6H,3-5,8H2,1-2H3/t;;;;2*9-,10+;2*9-,10-;;;;;2*7-,8+;2*7-,8-;;;;;/m....1010....1010...../s1
InChIKeyFLAFGMQIZLYNHR-WONIIASISA-N
XLogP42.45
TPSA504.45 Ų
H-Bond Donors21
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002908.29
LogP ≤ 542.45
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1021

Analyze cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine (CID 158064167) is cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine is CC(C)C1(N)CCC1.CC(C)C1CC(N)C1.CC(C)C1CC(N)C1.CC(C)C1CC(N)C1.CC(C)C1CC2(CC(N)C2)C1.CC(C)C1CCC(N)C1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCC(N)CC1.CC(C)C1CCCC(CN)C1.CC(C)[C@@H]1CCC[C@@H](CN)C1.CC(C)[C@@H]1CCC[C@H](CN)C1.CC(C)[C@@H]1CC[C@@H](N)C1.CC(C)[C@@H]1CC[C@H](N)C1.CC(C)[C@H]1CCC[C@@H](CN)C1.CC(C)[C@H]1CCC[C@H](CN)C1.CC(C)[C@H]1CC[C@@H](N)C1.CC(C)[C@H]1CC[C@H](N)C1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.
What is the InChIKey of cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine?
The InChIKey is FLAFGMQIZLYNHR-WONIIASISA-N. The full InChI is InChI=1S/C10H19N.8C10H21N.3C9H19N.5C8H17N.4C7H15N/c1-7(2)8-3-10(4-8)5-9(11)6-10;3*1-8(2)9-4-6-10(11-3)7-5-9;5*1-8(2)10-5-3-4-9(6-10)7-11;3*1-7(2)8-3-5-9(10)6-4-8;5*1-6(2)7-3-4-8(9)5-7;3*1-5(2)6-3-7(8)4-6;1-6(2)7(8)4-3-5-7/h7-9H,3-6,11H2,1-2H3;3*8-11H,4-7H2,1-3H3;5*8-10H,3-7,11H2,1-2H3;3*7-9H,3-6,10H2,1-2H3;5*6-8H,3-5,9H2,1-2H3;3*5-7H,3-4,8H2,1-2H3;6H,3-5,8H2,1-2H3/t;;;;2*9-,10+;2*9-,10-;;;;;2*7-,8+;2*7-,8-;;;;;/m....1010....1010...../s1.
What are the key properties of cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine?
cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine has a molecular weight of 2908.29 g/mol, XLogP of 42.45, 29 rotatable bonds, 21 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-propan-2-ylcyclopentan-1-amine;cis-(1R,3S)-3-propan-2-ylcyclopentan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);1-propan-2-ylcyclobutan-1-amine;tris(3-propan-2-ylcyclobutan-1-amine);tris(4-propan-2-ylcyclohexan-1-amine);[(1R,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3S)-3-propan-2-ylcyclohexyl]methanamine;[(1R,3R)-3-propan-2-ylcyclohexyl]methanamine;[(1S,3R)-3-propan-2-ylcyclohexyl]methanamine;(3-propan-2-ylcyclohexyl)methanamine;3-propan-2-ylcyclopentan-1-amine;6-propan-2-ylspiro[3.3]heptan-2-amine;trans-(1R,3R)-3-propan-2-ylcyclopentan-1-amine;trans-(1S,3S)-3-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 158064167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).