N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine

C18H29N — CID 107876302

IUPACN-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CN[C@@H](C)C1CCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-14(2)18(17-11-5-4-6-12-17)13-19-15(3)16-9-7-8-10-16/h4-6,11-12,14-16,18-19H,7-10,13H2,1-3H3/t15-,18?/m0/s1
InChIKeyNCWBGEQDEGWORT-BUSXIPJBSA-N
MW259.44 g/mol
LogP4.59
Rot. Bonds6

About N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine

N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine (PubChem CID 107876302) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
PubChem CID107876302
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CN[C@@H](C)C1CCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-14(2)18(17-11-5-4-6-12-17)13-19-15(3)16-9-7-8-10-16/h4-6,11-12,14-16,18-19H,7-10,13H2,1-3H3/t15-,18?/m0/s1
InChIKeyNCWBGEQDEGWORT-BUSXIPJBSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
N-(1-cyclopropylethyl)-2-phenylbutan-1-amine
CID 115676258
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine (CID 107876302) is N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine is CC(C)C(CN[C@@H](C)C1CCCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine?
The InChIKey is NCWBGEQDEGWORT-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)18(17-11-5-4-6-12-17)13-19-15(3)16-9-7-8-10-16/h4-6,11-12,14-16,18-19H,7-10,13H2,1-3H3/t15-,18?/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine?
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107876302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).