N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane

C32H52N2 — CID 171097814

IUPACN-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane
SMILESCC.CCCNC(C)(c1ccccc1)C1CCCC1.CCNC(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H25N.C14H21N.C2H6/c1-3-13-17-16(2,15-11-7-8-12-15)14-9-5-4-6-10-14;1-2-15-14(13-10-6-7-11-13)12-8-4-3-5-9-12;1-2/h4-6,9-10,15,17H,3,7-8,11-13H2,1-2H3;3-5,8-9,13-15H,2,6-7,10-11H2,1H3;1-2H3
InChIKeySDFAWNXPGLAMPM-UHFFFAOYSA-N
MW464.78 g/mol
LogP8.65
Rot. Bonds9

About N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane

N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane (PubChem CID 171097814) has the molecular formula C32H52N2 and a molecular weight of 464.78 g/mol. Its IUPAC name is N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane.

Molecular Properties

Compound NameN-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane
PubChem CID171097814
Molecular FormulaC32H52N2
Molecular Weight464.78 g/mol
Exact Mass464.41
IUPAC NameN-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane
SMILESCC.CCCNC(C)(c1ccccc1)C1CCCC1.CCNC(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H25N.C14H21N.C2H6/c1-3-13-17-16(2,15-11-7-8-12-15)14-9-5-4-6-10-14;1-2-15-14(13-10-6-7-11-13)12-8-4-3-5-9-12;1-2/h4-6,9-10,15,17H,3,7-8,11-13H2,1-2H3;3-5,8-9,13-15H,2,6-7,10-11H2,1H3;1-2H3
InChIKeySDFAWNXPGLAMPM-UHFFFAOYSA-N
XLogP8.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane?
The IUPAC name of N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane (CID 171097814) is N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane.
What is the SMILES notation for N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane?
The canonical SMILES for N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane is CC.CCCNC(C)(c1ccccc1)C1CCCC1.CCNC(c1ccccc1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane?
The InChIKey is SDFAWNXPGLAMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C14H21N.C2H6/c1-3-13-17-16(2,15-11-7-8-12-15)14-9-5-4-6-10-14;1-2-15-14(13-10-6-7-11-13)12-8-4-3-5-9-12;1-2/h4-6,9-10,15,17H,3,7-8,11-13H2,1-2H3;3-5,8-9,13-15H,2,6-7,10-11H2,1H3;1-2H3.
What are the key properties of N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane?
N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane has a molecular weight of 464.78 g/mol, XLogP of 8.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-1-phenylethyl)propan-1-amine;N-[cyclopentyl(phenyl)methyl]ethanamine;ethane is sourced from PubChem (CID 171097814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).