cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol

C79H167N9O10 — CID 159084179

IUPACcis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NC1CC(CO)C1.CC(C)NC1CCC(CO)CC1.CC(C)NC1CCC(O)CC1.CC(C)NC[C@H]1CC[C@H](O)C1.CC(C)N[C@@H]1CCC[C@@H](O)C1.CC(C)N[C@@H]1CC[C@@H](CO)C1.CC(C)N[C@@H]1CC[C@@H](O)C1.CC(C)N[C@@H]1CC[C@H](O)C1.CC(C)N[C@H]1C[C@H](CO)[C@H](O)C1
InChIInChI=1S/C10H21NO.C9H19NO2.4C9H19NO.3C8H17NO/c1-8(2)11-10-5-3-9(7-12)4-6-10;1-6(2)10-8-3-7(5-11)9(12)4-8;1-7(2)10-8-3-5-9(11)6-4-8;1-7(2)10-9-4-3-8(5-9)6-11;1-7(2)10-6-8-3-4-9(11)5-8;1-7(2)10-8-4-3-5-9(11)6-8;1-6(2)9-8-3-7(4-8)5-10;2*1-6(2)9-7-3-4-8(10)5-7/h8-12H,3-7H2,1-2H3;6-12H,3-5H2,1-2H3;4*7-11H,3-6H2,1-2H3;3*6-10H,3-5H2,1-2H3/t;7-,8+,9-;;3*8-,9-;;7-,8+;7-,8-/m.1.101.11/s1
InChIKeyKBFQJMBJRGDXQU-QDDXYAIFSA-N
MW1403.26 g/mol
LogP9.07
Rot. Bonds23

About cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol

cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 159084179) has the molecular formula C79H167N9O10 and a molecular weight of 1403.26 g/mol. Its IUPAC name is cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID159084179
Molecular FormulaC79H167N9O10
Molecular Weight1403.26 g/mol
Exact Mass1402.28
IUPAC Namecis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NC1CC(CO)C1.CC(C)NC1CCC(CO)CC1.CC(C)NC1CCC(O)CC1.CC(C)NC[C@H]1CC[C@H](O)C1.CC(C)N[C@@H]1CCC[C@@H](O)C1.CC(C)N[C@@H]1CC[C@@H](CO)C1.CC(C)N[C@@H]1CC[C@@H](O)C1.CC(C)N[C@@H]1CC[C@H](O)C1.CC(C)N[C@H]1C[C@H](CO)[C@H](O)C1
InChIInChI=1S/C10H21NO.C9H19NO2.4C9H19NO.3C8H17NO/c1-8(2)11-10-5-3-9(7-12)4-6-10;1-6(2)10-8-3-7(5-11)9(12)4-8;1-7(2)10-8-3-5-9(11)6-4-8;1-7(2)10-9-4-3-8(5-9)6-11;1-7(2)10-6-8-3-4-9(11)5-8;1-7(2)10-8-4-3-5-9(11)6-8;1-6(2)9-8-3-7(4-8)5-10;2*1-6(2)9-7-3-4-8(10)5-7/h8-12H,3-7H2,1-2H3;6-12H,3-5H2,1-2H3;4*7-11H,3-6H2,1-2H3;3*6-10H,3-5H2,1-2H3/t;7-,8+,9-;;3*8-,9-;;7-,8+;7-,8-/m.1.101.11/s1
InChIKeyKBFQJMBJRGDXQU-QDDXYAIFSA-N
XLogP9.07
TPSA310.57 Ų
H-Bond Donors19
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001403.26
LogP ≤ 59.07
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1019

Analyze cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol (CID 159084179) is cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol is CC(C)NC1CC(CO)C1.CC(C)NC1CCC(CO)CC1.CC(C)NC1CCC(O)CC1.CC(C)NC[C@H]1CC[C@H](O)C1.CC(C)N[C@@H]1CCC[C@@H](O)C1.CC(C)N[C@@H]1CC[C@@H](CO)C1.CC(C)N[C@@H]1CC[C@@H](O)C1.CC(C)N[C@@H]1CC[C@H](O)C1.CC(C)N[C@H]1C[C@H](CO)[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is KBFQJMBJRGDXQU-QDDXYAIFSA-N. The full InChI is InChI=1S/C10H21NO.C9H19NO2.4C9H19NO.3C8H17NO/c1-8(2)11-10-5-3-9(7-12)4-6-10;1-6(2)10-8-3-7(5-11)9(12)4-8;1-7(2)10-8-3-5-9(11)6-4-8;1-7(2)10-9-4-3-8(5-9)6-11;1-7(2)10-6-8-3-4-9(11)5-8;1-7(2)10-8-4-3-5-9(11)6-8;1-6(2)9-8-3-7(4-8)5-10;2*1-6(2)9-7-3-4-8(10)5-7/h8-12H,3-7H2,1-2H3;6-12H,3-5H2,1-2H3;4*7-11H,3-6H2,1-2H3;3*6-10H,3-5H2,1-2H3/t;7-,8+,9-;;3*8-,9-;;7-,8+;7-,8-/m.1.101.11/s1.
What are the key properties of cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 1403.26 g/mol, XLogP of 9.07, 23 rotatable bonds, 19 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;(1R,2R,4S)-2-(hydroxymethyl)-4-(propan-2-ylamino)cyclopentan-1-ol;[3-(propan-2-ylamino)cyclobutyl]methanol;4-(propan-2-ylamino)cyclohexan-1-ol;[4-(propan-2-ylamino)cyclohexyl]methanol;[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol;trans-(1R,3R)-3-(propan-2-ylamino)cyclohexan-1-ol;trans-(1R,3R)-3-(propan-2-ylamino)cyclopentan-1-ol;trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 159084179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).