3-benzylhexan-3-amine

C13H21N — CID 79007389

IUPAC3-benzylhexan-3-amine
SMILESCCCC(N)(CC)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-3-10-13(14,4-2)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,14H2,1-2H3
InChIKeyKIMZWPVZAHSGBF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds5

About 3-benzylhexan-3-amine

3-benzylhexan-3-amine (PubChem CID 79007389) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-benzylhexan-3-amine.

Molecular Properties

Compound Name3-benzylhexan-3-amine
PubChem CID79007389
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-benzylhexan-3-amine
SMILESCCCC(N)(CC)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-3-10-13(14,4-2)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,14H2,1-2H3
InChIKeyKIMZWPVZAHSGBF-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzylhexan-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

Related Compounds

2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
CID 79007492
2-amino-2-benzylpentanoic acid
CID 24974249
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
CID 82920189
2,2-dimethylpentylbenzene
CID 15727699
1-phenylpentane-2,2-diol
CID 56635388
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-benzyl-3-phenylpropane-1,2-diamine;dichloroplatinum
CID 14577055
3-amino-3-benzylheptan-4-one;hydrochloride
CID 174586501
3-[(3-bromophenyl)methyl]pentan-3-amine
CID 60799234
azane;3-benzylpentan-3-ol
CID 173295411
2-benzyl-2-propylpropanediamide
CID 131715569

Frequently Asked Questions

What is the IUPAC name of 3-benzylhexan-3-amine?
The IUPAC name of 3-benzylhexan-3-amine (CID 79007389) is 3-benzylhexan-3-amine.
What is the SMILES notation for 3-benzylhexan-3-amine?
The canonical SMILES for 3-benzylhexan-3-amine is CCCC(N)(CC)Cc1ccccc1.
What is the InChIKey of 3-benzylhexan-3-amine?
The InChIKey is KIMZWPVZAHSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-10-13(14,4-2)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,14H2,1-2H3.
What are the key properties of 3-benzylhexan-3-amine?
3-benzylhexan-3-amine has a molecular weight of 191.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylhexan-3-amine is sourced from PubChem (CID 79007389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).