N,N-dimethyloctadecan-1-amine

C20H43N — CID 15365

💊View drug profile → dimantine
IUPACN,N-dimethyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3
InChIKeyNAPSCFZYZVSQHF-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.81
Rot. Bonds17

About N,N-dimethyloctadecan-1-amine

N,N-dimethyloctadecan-1-amine (PubChem CID 15365) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N,N-dimethyloctadecan-1-amine.

Molecular Properties

Compound NameN,N-dimethyloctadecan-1-amine
PubChem CID15365
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN,N-dimethyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3
InChIKeyNAPSCFZYZVSQHF-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyloctadecan-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-dimethyloctadecan-1-amine?
The IUPAC name of N,N-dimethyloctadecan-1-amine (CID 15365) is N,N-dimethyloctadecan-1-amine.
What is the SMILES notation for N,N-dimethyloctadecan-1-amine?
The canonical SMILES for N,N-dimethyloctadecan-1-amine is CCCCCCCCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyloctadecan-1-amine?
The InChIKey is NAPSCFZYZVSQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3.
What are the key properties of N,N-dimethyloctadecan-1-amine?
N,N-dimethyloctadecan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.81, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctadecan-1-amine is sourced from PubChem (CID 15365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).