1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine

C18H29N — CID 114606294

IUPAC1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ccccc1C1CCC1)C(C)(C)C
InChIInChI=1S/C18H29N/c1-18(2,3)17(19-4)13-12-15-8-5-6-11-16(15)14-9-7-10-14/h5-6,8,11,14,17,19H,7,9-10,12-13H2,1-4H3
InChIKeyYOQCCQHUYYBZTF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine

1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine (PubChem CID 114606294) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine
PubChem CID114606294
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ccccc1C1CCC1)C(C)(C)C
InChIInChI=1S/C18H29N/c1-18(2,3)17(19-4)13-12-15-8-5-6-11-16(15)14-9-7-10-14/h5-6,8,11,14,17,19H,7,9-10,12-13H2,1-4H3
InChIKeyYOQCCQHUYYBZTF-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-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 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine (CID 114606294) is 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine is CNC(CCc1ccccc1C1CCC1)C(C)(C)C.
What is the InChIKey of 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is YOQCCQHUYYBZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)17(19-4)13-12-15-8-5-6-11-16(15)14-9-7-10-14/h5-6,8,11,14,17,19H,7,9-10,12-13H2,1-4H3.
What are the key properties of 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine?
1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 114606294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).