2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine

C10H24N2 — CID 116960751

IUPAC2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
SMILESCCCC(NC)C(CC)CNC
InChIInChI=1S/C10H24N2/c1-5-7-10(12-4)9(6-2)8-11-3/h9-12H,5-8H2,1-4H3
InChIKeyTZLUIWYCSJINIH-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.62
Rot. Bonds7

About 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine

2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine (PubChem CID 116960751) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
PubChem CID116960751
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
SMILESCCCC(NC)C(CC)CNC
InChIInChI=1S/C10H24N2/c1-5-7-10(12-4)9(6-2)8-11-3/h9-12H,5-8H2,1-4H3
InChIKeyTZLUIWYCSJINIH-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-N,3-N-dimethylhexane-1,3-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

2-ethyl-1-N-methylhexane-1,3-diamine
CID 116946426
3-ethyl-N-methylnonan-4-amine
CID 115837459
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
4-ethyl-N-methyl-1-propoxyhexan-3-amine
CID 105168465
4-ethyl-N-methylhexan-3-amine
CID 79307570
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
7-ethyl-N,2-dimethylundecan-6-amine
CID 105028702
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
1-N,2-N-dimethylpentane-1,2-diamine;molecular hydrogen
CID 171489835
4,5-diethyloctane
CID 519254
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine?
The IUPAC name of 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine (CID 116960751) is 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine is CCCC(NC)C(CC)CNC.
What is the InChIKey of 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine?
The InChIKey is TZLUIWYCSJINIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-7-10(12-4)9(6-2)8-11-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine?
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine is sourced from PubChem (CID 116960751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).