N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine

C26H31N — CID 22952147

IUPACN-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine
SMILESCCCN(CC1CC1)c1ccc(-c2c(C)cc(C)cc2C)c2ccccc12
InChIInChI=1S/C26H31N/c1-5-14-27(17-21-10-11-21)25-13-12-24(22-8-6-7-9-23(22)25)26-19(3)15-18(2)16-20(26)4/h6-9,12-13,15-16,21H,5,10-11,14,17H2,1-4H3
InChIKeyHNCUBTBRSBALKF-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.06
Rot. Bonds6

About N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine

N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine (PubChem CID 22952147) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine
PubChem CID22952147
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC NameN-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine
SMILESCCCN(CC1CC1)c1ccc(-c2c(C)cc(C)cc2C)c2ccccc12
InChIInChI=1S/C26H31N/c1-5-14-27(17-21-10-11-21)25-13-12-24(22-8-6-7-9-23(22)25)26-19(3)15-18(2)16-20(26)4/h6-9,12-13,15-16,21H,5,10-11,14,17H2,1-4H3
InChIKeyHNCUBTBRSBALKF-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine (CID 22952147) is N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine is CCCN(CC1CC1)c1ccc(-c2c(C)cc(C)cc2C)c2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine?
The InChIKey is HNCUBTBRSBALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-5-14-27(17-21-10-11-21)25-13-12-24(22-8-6-7-9-23(22)25)26-19(3)15-18(2)16-20(26)4/h6-9,12-13,15-16,21H,5,10-11,14,17H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine?
N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine has a molecular weight of 357.54 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine is sourced from PubChem (CID 22952147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).