1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine

C18H29N — CID 63477318

IUPAC1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
SMILESCCC(NCC(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-18(17-12-8-5-9-13-17)19-14-15(2)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-19H,3,5,8-9,12-14H2,1-2H3
InChIKeyNPBRDRPVPQCEMR-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.74
Rot. Bonds6

About 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine

1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine (PubChem CID 63477318) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
PubChem CID63477318
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
SMILESCCC(NCC(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-18(17-12-8-5-9-13-17)19-14-15(2)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-19H,3,5,8-9,12-14H2,1-2H3
InChIKeyNPBRDRPVPQCEMR-UHFFFAOYSA-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

2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
N-(dicyclopropylmethyl)-2-phenylpropan-1-amine
CID 43204178
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55069022
5-cyclohexylheptan-2-ylbenzene
CID 23597687
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
CID 62406831
2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
CID 62407196
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine (CID 63477318) is 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine is CCC(NCC(C)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine?
The InChIKey is NPBRDRPVPQCEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-18(17-12-8-5-9-13-17)19-14-15(2)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-19H,3,5,8-9,12-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine?
1-cyclohexyl-N-(2-phenylpropyl)propan-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 1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine is sourced from PubChem (CID 63477318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).