N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine

C17H29N — CID 63509074

IUPACN,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
SMILESCCCC(C)(CNC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-7-8-17(5,12-18-6)11-16-14(3)9-13(2)10-15(16)4/h9-10,18H,7-8,11-12H2,1-6H3
InChIKeyYNEWXGGMUQLAIP-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.18
Rot. Bonds6

About N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine

N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine (PubChem CID 63509074) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
PubChem CID63509074
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
SMILESCCCC(C)(CNC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-7-8-17(5,12-18-6)11-16-14(3)9-13(2)10-15(16)4/h9-10,18H,7-8,11-12H2,1-6H3
InChIKeyYNEWXGGMUQLAIP-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-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,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
The IUPAC name of N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine (CID 63509074) is N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine is CCCC(C)(CNC)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
The InChIKey is YNEWXGGMUQLAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-8-17(5,12-18-6)11-16-14(3)9-13(2)10-15(16)4/h9-10,18H,7-8,11-12H2,1-6H3.
What are the key properties of N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 63509074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).