1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine

C18H40N2 — CID 139634498

IUPAC1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
SMILESCCCCCCCCCCCCN(C)CC(C)N(C)C
InChIInChI=1S/C18H40N2/c1-6-7-8-9-10-11-12-13-14-15-16-20(5)17-18(2)19(3)4/h18H,6-17H2,1-5H3
InChIKeyARTPFIUWSGBOIG-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.79
Rot. Bonds14

About 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine

1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 139634498) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
PubChem CID139634498
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
SMILESCCCCCCCCCCCCN(C)CC(C)N(C)C
InChIInChI=1S/C18H40N2/c1-6-7-8-9-10-11-12-13-14-15-16-20(5)17-18(2)19(3)4/h18H,6-17H2,1-5H3
InChIKeyARTPFIUWSGBOIG-UHFFFAOYSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine 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

1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine (CID 139634498) is 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine is CCCCCCCCCCCCN(C)CC(C)N(C)C.
What is the InChIKey of 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is ARTPFIUWSGBOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-6-7-8-9-10-11-12-13-14-15-16-20(5)17-18(2)19(3)4/h18H,6-17H2,1-5H3.
What are the key properties of 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine?
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.79, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 139634498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).