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

C14H32N2 — CID 23346633

IUPAC2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
SMILESCCC(C)(C)CC(N)(CN)CC(C)(C)CC
InChIInChI=1S/C14H32N2/c1-7-12(3,4)9-14(16,11-15)10-13(5,6)8-2/h7-11,15-16H2,1-6H3
InChIKeyUSXXKDIHKORRFL-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.30
Rot. Bonds7

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

2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine (PubChem CID 23346633) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
PubChem CID23346633
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
SMILESCCC(C)(C)CC(N)(CN)CC(C)(C)CC
InChIInChI=1S/C14H32N2/c1-7-12(3,4)9-14(16,11-15)10-13(5,6)8-2/h7-11,15-16H2,1-6H3
InChIKeyUSXXKDIHKORRFL-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
ethane;2,2,4-trimethyl-4-N-(2,4,4,6,6-pentamethyloctan-2-yl)pentane-1,4-diamine
CID 145086421
2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine
CID 171508665
2-ethylbutane-1,2,4-triamine
CID 88635089
3,3-dimethylpentane;ethane;methanol
CID 144527462
2-fluoro-2,4,4-trimethylhexane
CID 155702638

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine?
The IUPAC name of 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine (CID 23346633) is 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine?
The canonical SMILES for 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine is CCC(C)(C)CC(N)(CN)CC(C)(C)CC.
What is the InChIKey of 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine?
The InChIKey is USXXKDIHKORRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-12(3,4)9-14(16,11-15)10-13(5,6)8-2/h7-11,15-16H2,1-6H3.
What are the key properties of 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine?
2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine is sourced from PubChem (CID 23346633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).