N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine

C14H32N2 — CID 154936879

IUPACN-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine
SMILESCCCCNCCNCCCC(C)(C)CC
InChIInChI=1S/C14H32N2/c1-5-7-10-15-12-13-16-11-8-9-14(3,4)6-2/h15-16H,5-13H2,1-4H3
InChIKeyJGAJRNOMZZUIMN-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.18
Rot. Bonds11

About N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine

N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine (PubChem CID 154936879) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine
PubChem CID154936879
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine
SMILESCCCCNCCNCCCC(C)(C)CC
InChIInChI=1S/C14H32N2/c1-5-7-10-15-12-13-16-11-8-9-14(3,4)6-2/h15-16H,5-13H2,1-4H3
InChIKeyJGAJRNOMZZUIMN-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-N'-(4,4-dimethylhexyl)ethane-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

N-(4,4-dimethylpentyl)-4,4-dimethylhexan-1-amine
CID 138739641
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
3,3-dimethyloctane;ethane
CID 145013248
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-butylbutan-1-amine;hydrochloride
CID 3083954
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
3,3,19,19-tetramethylhenicosane
CID 123780647
potassium;N-butylbutan-1-amine;hydride
CID 174461538
3,3,9,9-tetramethylundecane
CID 20661116

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine (CID 154936879) is N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine is CCCCNCCNCCCC(C)(C)CC.
What is the InChIKey of N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine?
The InChIKey is JGAJRNOMZZUIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-7-10-15-12-13-16-11-8-9-14(3,4)6-2/h15-16H,5-13H2,1-4H3.
What are the key properties of N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine?
N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 154936879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).