N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine

C16H36N2 — CID 113405465

IUPACN-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCCCCCCCNCCNCC(C)C
InChIInChI=1S/C16H36N2/c1-4-5-6-7-8-9-10-11-12-17-13-14-18-15-16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyCPUHEGUVDJCZBD-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.96
Rot. Bonds14

About N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine

N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 113405465) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID113405465
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCCCCCCCNCCNCC(C)C
InChIInChI=1S/C16H36N2/c1-4-5-6-7-8-9-10-11-12-17-13-14-18-15-16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyCPUHEGUVDJCZBD-UHFFFAOYSA-N
XLogP3.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-(6-methylheptyl)octadecan-1-amine
CID 162253708

Frequently Asked Questions

What is the IUPAC name of N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 113405465) is N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCCCCCCCCCNCCNCC(C)C.
What is the InChIKey of N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is CPUHEGUVDJCZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-4-5-6-7-8-9-10-11-12-17-13-14-18-15-16(2)3/h16-18H,4-15H2,1-3H3.
What are the key properties of N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.96, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 113405465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).