cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine

C26H30N2 — CID 88918861

IUPACcis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
SMILESC/N=C(\C)c1cccc([C@@H]2CC[C@H](N[C@H](C)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C26H30N2/c1-18(27-3)21-10-6-11-22(16-21)23-14-15-24(17-23)28-19(2)25-13-7-9-20-8-4-5-12-26(20)25/h4-13,16,19,23-24,28H,14-15,17H2,1-3H3/b27-18+/t19-,23-,24+/m1/s1
InChIKeyUUHATENPNIMJJA-PRFNPFRTSA-N
MW370.54 g/mol
LogP6.27
Rot. Bonds5

About cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine

cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine (PubChem CID 88918861) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
PubChem CID88918861
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Namecis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
SMILESC/N=C(\C)c1cccc([C@@H]2CC[C@H](N[C@H](C)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C26H30N2/c1-18(27-3)21-10-6-11-22(16-21)23-14-15-24(17-23)28-19(2)25-13-7-9-20-8-4-5-12-26(20)25/h4-13,16,19,23-24,28H,14-15,17H2,1-3H3/b27-18+/t19-,23-,24+/m1/s1
InChIKeyUUHATENPNIMJJA-PRFNPFRTSA-N
XLogP6.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 46181107
cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 67296278
2-[3-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid;hydrochloride
CID 67296019
ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
CID 68781120
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid
CID 143943984

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine (CID 88918861) is cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine is C/N=C(\C)c1cccc([C@@H]2CC[C@H](N[C@H](C)c3cccc4ccccc34)C2)c1.
What is the InChIKey of cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
The InChIKey is UUHATENPNIMJJA-PRFNPFRTSA-N. The full InChI is InChI=1S/C26H30N2/c1-18(27-3)21-10-6-11-22(16-21)23-14-15-24(17-23)28-19(2)25-13-7-9-20-8-4-5-12-26(20)25/h4-13,16,19,23-24,28H,14-15,17H2,1-3H3/b27-18+/t19-,23-,24+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine has a molecular weight of 370.54 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine is sourced from PubChem (CID 88918861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).