2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine

C20H29N — CID 10708145

IUPAC2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine
SMILESC[C@@H](/N=C1\CCCC1CC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H29N/c1-16(18-11-6-3-7-12-18)21-20-14-8-13-19(20)15-17-9-4-2-5-10-17/h3,6-7,11-12,16-17,19H,2,4-5,8-10,13-15H2,1H3/b21-20+/t16-,19?/m1/s1
InChIKeyBLBXXDNMPYTCCI-XXTPNCGSSA-N
MW283.46 g/mol
LogP5.96
Rot. Bonds4

About 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine

2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine (PubChem CID 10708145) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine
PubChem CID10708145
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine
SMILESC[C@@H](/N=C1\CCCC1CC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H29N/c1-16(18-11-6-3-7-12-18)21-20-14-8-13-19(20)15-17-9-4-2-5-10-17/h3,6-7,11-12,16-17,19H,2,4-5,8-10,13-15H2,1H3/b21-20+/t16-,19?/m1/s1
InChIKeyBLBXXDNMPYTCCI-XXTPNCGSSA-N
XLogP5.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine?
The IUPAC name of 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine (CID 10708145) is 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine?
The canonical SMILES for 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine is C[C@@H](/N=C1\CCCC1CC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine?
The InChIKey is BLBXXDNMPYTCCI-XXTPNCGSSA-N. The full InChI is InChI=1S/C20H29N/c1-16(18-11-6-3-7-12-18)21-20-14-8-13-19(20)15-17-9-4-2-5-10-17/h3,6-7,11-12,16-17,19H,2,4-5,8-10,13-15H2,1H3/b21-20+/t16-,19?/m1/s1.
What are the key properties of 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine?
2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine has a molecular weight of 283.46 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine is sourced from PubChem (CID 10708145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).