1-(6-methyldodecan-6-yl)azetidin-3-amine

C16H34N2 — CID 130337700

IUPAC1-(6-methyldodecan-6-yl)azetidin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1CC(N)C1
InChIInChI=1S/C16H34N2/c1-4-6-8-10-12-16(3,11-9-7-5-2)18-13-15(17)14-18/h15H,4-14,17H2,1-3H3
InChIKeyNFJIBPYDUVTXNR-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.94
Rot. Bonds10

About 1-(6-methyldodecan-6-yl)azetidin-3-amine

1-(6-methyldodecan-6-yl)azetidin-3-amine (PubChem CID 130337700) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(6-methyldodecan-6-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-methyldodecan-6-yl)azetidin-3-amine
PubChem CID130337700
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(6-methyldodecan-6-yl)azetidin-3-amine
SMILESCCCCCCC(C)(CCCCC)N1CC(N)C1
InChIInChI=1S/C16H34N2/c1-4-6-8-10-12-16(3,11-9-7-5-2)18-13-15(17)14-18/h15H,4-14,17H2,1-3H3
InChIKeyNFJIBPYDUVTXNR-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-methyldodecan-6-yl)azetidin-3-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

1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
CID 154981972
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
1-(6-methyldodecan-6-yl)pyrazolidin-3-amine
CID 170309506

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyldodecan-6-yl)azetidin-3-amine?
The IUPAC name of 1-(6-methyldodecan-6-yl)azetidin-3-amine (CID 130337700) is 1-(6-methyldodecan-6-yl)azetidin-3-amine.
What is the SMILES notation for 1-(6-methyldodecan-6-yl)azetidin-3-amine?
The canonical SMILES for 1-(6-methyldodecan-6-yl)azetidin-3-amine is CCCCCCC(C)(CCCCC)N1CC(N)C1.
What is the InChIKey of 1-(6-methyldodecan-6-yl)azetidin-3-amine?
The InChIKey is NFJIBPYDUVTXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-6-8-10-12-16(3,11-9-7-5-2)18-13-15(17)14-18/h15H,4-14,17H2,1-3H3.
What are the key properties of 1-(6-methyldodecan-6-yl)azetidin-3-amine?
1-(6-methyldodecan-6-yl)azetidin-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyldodecan-6-yl)azetidin-3-amine is sourced from PubChem (CID 130337700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).