N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine

C16H23N — CID 64500445

IUPACN-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(c2ccccc2)C2CC2)C1
InChIInChI=1S/C16H23N/c1-12-7-10-15(11-12)17-16(14-8-9-14)13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3
InChIKeyXOYQJBNZISQTPM-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.92
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine

N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 64500445) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID64500445
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC(c2ccccc2)C2CC2)C1
InChIInChI=1S/C16H23N/c1-12-7-10-15(11-12)17-16(14-8-9-14)13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3
InChIKeyXOYQJBNZISQTPM-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-3-methylcyclopentan-1-amine
CID 64502336
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
(1S)-N-(3,3-diphenylpropyl)-3-methylcyclopentan-1-amine
CID 71032236
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43724333
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine
CID 114547321
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103082854

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine (CID 64500445) is N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(NC(c2ccccc2)C2CC2)C1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is XOYQJBNZISQTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-7-10-15(11-12)17-16(14-8-9-14)13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine?
N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64500445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).