N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine

C18H29N — CID 81384381

IUPACN-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
SMILESCC(CCN[C@H](C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-15(17-9-5-3-6-10-17)13-14-19-16(2)18-11-7-4-8-12-18/h3,5-6,9-10,15-16,18-19H,4,7-8,11-14H2,1-2H3/t15?,16-/m1/s1
InChIKeyHYENRTVLAYCLQD-OEMAIJDKSA-N
MW259.44 g/mol
LogP4.74
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine

N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine (PubChem CID 81384381) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
PubChem CID81384381
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
SMILESCC(CCN[C@H](C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H29N/c1-15(17-9-5-3-6-10-17)13-14-19-16(2)18-11-7-4-8-12-18/h3,5-6,9-10,15-16,18-19H,4,7-8,11-14H2,1-2H3/t15?,16-/m1/s1
InChIKeyHYENRTVLAYCLQD-OEMAIJDKSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
5-cyclohexylheptan-2-ylbenzene
CID 23597687
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
CID 63477318
3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine
CID 58599580

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine (CID 81384381) is N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine is CC(CCN[C@H](C)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine?
The InChIKey is HYENRTVLAYCLQD-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H29N/c1-15(17-9-5-3-6-10-17)13-14-19-16(2)18-11-7-4-8-12-18/h3,5-6,9-10,15-16,18-19H,4,7-8,11-14H2,1-2H3/t15?,16-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine?
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 81384381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).