N-benzyl-N-butyl-3-methylbutan-1-amine

C16H27N — CID 21355603

IUPACN-benzyl-N-butyl-3-methylbutan-1-amine
SMILESCCCCN(CCC(C)C)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-4-5-12-17(13-11-15(2)3)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3
InChIKeyLJPNQRFGDMTRGG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.33
Rot. Bonds8

About N-benzyl-N-butyl-3-methylbutan-1-amine

N-benzyl-N-butyl-3-methylbutan-1-amine (PubChem CID 21355603) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-benzyl-N-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-butyl-3-methylbutan-1-amine
PubChem CID21355603
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-benzyl-N-butyl-3-methylbutan-1-amine
SMILESCCCCN(CCC(C)C)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-4-5-12-17(13-11-15(2)3)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3
InChIKeyLJPNQRFGDMTRGG-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-N-butyl-3-methylbutan-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

N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 56610274
butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
CID 90732406
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
CID 175631821

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-3-methylbutan-1-amine?
The IUPAC name of N-benzyl-N-butyl-3-methylbutan-1-amine (CID 21355603) is N-benzyl-N-butyl-3-methylbutan-1-amine.
What is the SMILES notation for N-benzyl-N-butyl-3-methylbutan-1-amine?
The canonical SMILES for N-benzyl-N-butyl-3-methylbutan-1-amine is CCCCN(CCC(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-butyl-3-methylbutan-1-amine?
The InChIKey is LJPNQRFGDMTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-5-12-17(13-11-15(2)3)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3.
What are the key properties of N-benzyl-N-butyl-3-methylbutan-1-amine?
N-benzyl-N-butyl-3-methylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 21355603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).