N,N-dibenzyldodecan-1-amine

C26H39N — CID 11508874

IUPACN,N-dibenzyldodecan-1-amine
SMILESCCCCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H39N/c1-2-3-4-5-6-7-8-9-10-17-22-27(23-25-18-13-11-14-19-25)24-26-20-15-12-16-21-26/h11-16,18-21H,2-10,17,22-24H2,1H3
InChIKeyGHYXECUZMBBBGN-UHFFFAOYSA-N
MW365.60 g/mol
LogP7.61
Rot. Bonds15

About N,N-dibenzyldodecan-1-amine

N,N-dibenzyldodecan-1-amine (PubChem CID 11508874) has the molecular formula C26H39N and a molecular weight of 365.60 g/mol. Its IUPAC name is N,N-dibenzyldodecan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyldodecan-1-amine
PubChem CID11508874
Molecular FormulaC26H39N
Molecular Weight365.60 g/mol
Exact Mass365.31
IUPAC NameN,N-dibenzyldodecan-1-amine
SMILESCCCCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H39N/c1-2-3-4-5-6-7-8-9-10-17-22-27(23-25-18-13-11-14-19-25)24-26-20-15-12-16-21-26/h11-16,18-21H,2-10,17,22-24H2,1H3
InChIKeyGHYXECUZMBBBGN-UHFFFAOYSA-N
XLogP7.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dibenzyldodecan-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,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
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,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyldodecan-1-amine?
The IUPAC name of N,N-dibenzyldodecan-1-amine (CID 11508874) is N,N-dibenzyldodecan-1-amine.
What is the SMILES notation for N,N-dibenzyldodecan-1-amine?
The canonical SMILES for N,N-dibenzyldodecan-1-amine is CCCCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyldodecan-1-amine?
The InChIKey is GHYXECUZMBBBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N/c1-2-3-4-5-6-7-8-9-10-17-22-27(23-25-18-13-11-14-19-25)24-26-20-15-12-16-21-26/h11-16,18-21H,2-10,17,22-24H2,1H3.
What are the key properties of N,N-dibenzyldodecan-1-amine?
N,N-dibenzyldodecan-1-amine has a molecular weight of 365.60 g/mol, XLogP of 7.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyldodecan-1-amine is sourced from PubChem (CID 11508874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).