1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine

C19H31N — CID 65086951

IUPAC1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(CCCc2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-16(2)18-11-7-14-19(20,15-12-18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3
InChIKeyPWUYSCJIPYXZPG-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.94
Rot. Bonds5

About 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine

1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086951) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086951
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(CCCc2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-16(2)18-11-7-14-19(20,15-12-18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3
InChIKeyPWUYSCJIPYXZPG-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-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

4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155
3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine
CID 107430007
1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
CID 83158864
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine
CID 64513874
1-[(2-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086364
2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
CID 65240022
4-ethyl-1-(2-phenylethyl)cyclohexan-1-amine
CID 60799381
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086657
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449169
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine (CID 65086951) is 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N)(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is PWUYSCJIPYXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(2)18-11-7-14-19(20,15-12-18)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,20H2,1-2H3.
What are the key properties of 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine?
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).