2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine

C18H29N — CID 81320617

IUPAC2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCCCc1ccccc1
InChIInChI=1S/C18H29N/c1-15-14-18(2,3)12-11-17(15)19-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17,19H,7,10-14H2,1-3H3
InChIKeyKVDHWAGKOPWEJK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds5

About 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine

2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine (PubChem CID 81320617) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
PubChem CID81320617
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCCCc1ccccc1
InChIInChI=1S/C18H29N/c1-15-14-18(2,3)12-11-17(15)19-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17,19H,7,10-14H2,1-3H3
InChIKeyKVDHWAGKOPWEJK-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4,4-trimethyl-N-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 81320792
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
CID 103786997
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824
2,4,4-trimethyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 81321590
5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
CID 107270331
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 79864655
2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 81321644
(1S,2S,3S,5R)-2,6,6-trimethyl-N-(3-phenylpropyl)bicyclo[3.1.1]heptan-3-amine
CID 141314175
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine (CID 81320617) is 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine is CC1CC(C)(C)CCC1NCCCc1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
The InChIKey is KVDHWAGKOPWEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15-14-18(2,3)12-11-17(15)19-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17,19H,7,10-14H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine?
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 81320617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).