4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine

C18H29N — CID 65084187

IUPAC4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine
SMILESCCCc1ccccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C18H29N/c1-4-8-15-9-5-6-11-17(15)19-16-10-7-13-18(2,3)14-12-16/h5-6,9,11,16,19H,4,7-8,10,12-14H2,1-3H3
InChIKeyAODHJARZCVNRQH-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.41
Rot. Bonds4

About 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine

4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine (PubChem CID 65084187) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine
PubChem CID65084187
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine
SMILESCCCc1ccccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C18H29N/c1-4-8-15-9-5-6-11-17(15)19-16-10-7-13-18(2,3)14-12-16/h5-6,9,11,16,19H,4,7-8,10,12-14H2,1-3H3
InChIKeyAODHJARZCVNRQH-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
N-[2-(methoxymethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084084
N-(2-propylphenyl)piperidin-4-amine
CID 61016872
N-(2-propylphenyl)thian-3-amine
CID 62871075
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753632
N-(2-propylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43687471
1-propan-2-yl-N-(2-propylphenyl)piperidin-4-amine
CID 43687285
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
N-(3,3-dimethylcyclopentyl)-2-propoxyaniline
CID 80705624
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
CID 65083577

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine (CID 65084187) is 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine is CCCc1ccccc1NC1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine?
The InChIKey is AODHJARZCVNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-8-15-9-5-6-11-17(15)19-16-10-7-13-18(2,3)14-12-16/h5-6,9,11,16,19H,4,7-8,10,12-14H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine?
4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65084187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).