N-benzyl-N-propylhexan-1-amine

C16H27N — CID 123983090

IUPACN-benzyl-N-propylhexan-1-amine
SMILESCCCCCCN(CCC)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-3-5-6-10-14-17(13-4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3
InChIKeyVXZUBOLVQFJWNS-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.48
Rot. Bonds9

About N-benzyl-N-propylhexan-1-amine

N-benzyl-N-propylhexan-1-amine (PubChem CID 123983090) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-benzyl-N-propylhexan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-propylhexan-1-amine
PubChem CID123983090
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-benzyl-N-propylhexan-1-amine
SMILESCCCCCCN(CCC)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-3-5-6-10-14-17(13-4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3
InChIKeyVXZUBOLVQFJWNS-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propylhexan-1-amine?
The IUPAC name of N-benzyl-N-propylhexan-1-amine (CID 123983090) is N-benzyl-N-propylhexan-1-amine.
What is the SMILES notation for N-benzyl-N-propylhexan-1-amine?
The canonical SMILES for N-benzyl-N-propylhexan-1-amine is CCCCCCN(CCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-propylhexan-1-amine?
The InChIKey is VXZUBOLVQFJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-5-6-10-14-17(13-4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-propylhexan-1-amine?
N-benzyl-N-propylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propylhexan-1-amine is sourced from PubChem (CID 123983090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).