1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine

C17H27N — CID 65391218

IUPAC1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
SMILESCC1(C)CCC(C(N)CCc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-17(2)12-10-15(11-13-17)16(18)9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-13,18H2,1-2H3
InChIKeyZGJARKZZBDQAAN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.16
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine

1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine (PubChem CID 65391218) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
PubChem CID65391218
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
SMILESCC1(C)CCC(C(N)CCc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-17(2)12-10-15(11-13-17)16(18)9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-13,18H2,1-2H3
InChIKeyZGJARKZZBDQAAN-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391214
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 116768960
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115794492
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
1-cyclopropyl-4-phenylmethoxybutan-1-amine
CID 130537024
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine (CID 65391218) is 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine is CC1(C)CCC(C(N)CCc2ccccc2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
The InChIKey is ZGJARKZZBDQAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2)12-10-15(11-13-17)16(18)9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-13,18H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine?
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 65391218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).