N,N-didodecyldodecan-1-amine

C36H75N — CID 7624

IUPACN,N-didodecyldodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeySWZDQOUHBYYPJD-UHFFFAOYSA-N
MW522.00 g/mol
LogP13.05
Rot. Bonds33

About N,N-didodecyldodecan-1-amine

N,N-didodecyldodecan-1-amine (PubChem CID 7624) has the molecular formula C36H75N and a molecular weight of 522.00 g/mol. Its IUPAC name is N,N-didodecyldodecan-1-amine.

Molecular Properties

Compound NameN,N-didodecyldodecan-1-amine
PubChem CID7624
Molecular FormulaC36H75N
Molecular Weight522.00 g/mol
Exact Mass521.59
IUPAC NameN,N-didodecyldodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeySWZDQOUHBYYPJD-UHFFFAOYSA-N
XLogP13.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.00
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-didodecyldodecan-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

Frequently Asked Questions

What is the IUPAC name of N,N-didodecyldodecan-1-amine?
The IUPAC name of N,N-didodecyldodecan-1-amine (CID 7624) is N,N-didodecyldodecan-1-amine.
What is the SMILES notation for N,N-didodecyldodecan-1-amine?
The canonical SMILES for N,N-didodecyldodecan-1-amine is CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of N,N-didodecyldodecan-1-amine?
The InChIKey is SWZDQOUHBYYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3.
What are the key properties of N,N-didodecyldodecan-1-amine?
N,N-didodecyldodecan-1-amine has a molecular weight of 522.00 g/mol, XLogP of 13.05, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didodecyldodecan-1-amine is sourced from PubChem (CID 7624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).