cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine

C41H88N6 — CID 158398099

IUPACcis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine
SMILESCNC1CC(C)C1.CNC1CC[C@H](C)C1.CN[C@@H]1CC[C@H](C)C1.CN[C@@H]1CC[C@H](C)C1.CN[C@H]1CC[C@@H](C)C1.C[C@@H]1CCCN(C)C1
InChIInChI=1S/5C7H15N.C6H13N/c4*1-6-3-4-7(5-6)8-2;1-7-4-3-5-8(2)6-7;1-5-3-6(4-5)7-2/h4*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5-7H,3-4H2,1-2H3/t6-,7?;3*6-,7+;7-;/m01001./s1
InChIKeyGXTLNOBBOOOUOF-ISCFWYSLSA-N
MW665.20 g/mol
LogP7.93
Rot. Bonds5

About cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine

cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine (PubChem CID 158398099) has the molecular formula C41H88N6 and a molecular weight of 665.20 g/mol. Its IUPAC name is cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine.

Molecular Properties

Compound Namecis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine
PubChem CID158398099
Molecular FormulaC41H88N6
Molecular Weight665.20 g/mol
Exact Mass664.71
IUPAC Namecis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine
SMILESCNC1CC(C)C1.CNC1CC[C@H](C)C1.CN[C@@H]1CC[C@H](C)C1.CN[C@@H]1CC[C@H](C)C1.CN[C@H]1CC[C@@H](C)C1.C[C@@H]1CCCN(C)C1
InChIInChI=1S/5C7H15N.C6H13N/c4*1-6-3-4-7(5-6)8-2;1-7-4-3-5-8(2)6-7;1-5-3-6(4-5)7-2/h4*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5-7H,3-4H2,1-2H3/t6-,7?;3*6-,7+;7-;/m01001./s1
InChIKeyGXTLNOBBOOOUOF-ISCFWYSLSA-N
XLogP7.93
TPSA63.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.20
LogP ≤ 57.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine?
The IUPAC name of cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine (CID 158398099) is cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine.
What is the SMILES notation for cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine?
The canonical SMILES for cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine is CNC1CC(C)C1.CNC1CC[C@H](C)C1.CN[C@@H]1CC[C@H](C)C1.CN[C@@H]1CC[C@H](C)C1.CN[C@H]1CC[C@@H](C)C1.C[C@@H]1CCCN(C)C1.
What is the InChIKey of cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine?
The InChIKey is GXTLNOBBOOOUOF-ISCFWYSLSA-N. The full InChI is InChI=1S/5C7H15N.C6H13N/c4*1-6-3-4-7(5-6)8-2;1-7-4-3-5-8(2)6-7;1-5-3-6(4-5)7-2/h4*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5-7H,3-4H2,1-2H3/t6-,7?;3*6-,7+;7-;/m01001./s1.
What are the key properties of cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine?
cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine has a molecular weight of 665.20 g/mol, XLogP of 7.93, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine is sourced from PubChem (CID 158398099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).