2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine

C14H32N2 — CID 126685858

IUPAC2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine
SMILESCC(C)C(C)CC(N)(CN)CC(C)C(C)C
InChIInChI=1S/C14H32N2/c1-10(2)12(5)7-14(16,9-15)8-13(6)11(3)4/h10-13H,7-9,15-16H2,1-6H3
InChIKeyZSJDQTLMJLYNIL-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.01
Rot. Bonds7

About 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine

2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine (PubChem CID 126685858) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine
PubChem CID126685858
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine
SMILESCC(C)C(C)CC(N)(CN)CC(C)C(C)C
InChIInChI=1S/C14H32N2/c1-10(2)12(5)7-14(16,9-15)8-13(6)11(3)4/h10-13H,7-9,15-16H2,1-6H3
InChIKeyZSJDQTLMJLYNIL-UHFFFAOYSA-N
XLogP3.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine?
The IUPAC name of 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine (CID 126685858) is 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine.
What is the SMILES notation for 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine?
The canonical SMILES for 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine is CC(C)C(C)CC(N)(CN)CC(C)C(C)C.
What is the InChIKey of 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine?
The InChIKey is ZSJDQTLMJLYNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-10(2)12(5)7-14(16,9-15)8-13(6)11(3)4/h10-13H,7-9,15-16H2,1-6H3.
What are the key properties of 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine?
2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine is sourced from PubChem (CID 126685858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).