3,3-dimethylbutane-1,2-diamine

C6H16N2 — CID 5201578

IUPAC3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)CN
InChIInChI=1S/C6H16N2/c1-6(2,3)5(8)4-7/h5H,4,7-8H2,1-3H3
InChIKeyKKMKAWJAGGJWTJ-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.32
Rot. Bonds1

About 3,3-dimethylbutane-1,2-diamine

3,3-dimethylbutane-1,2-diamine (PubChem CID 5201578) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethylbutane-1,2-diamine
PubChem CID5201578
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)CN
InChIInChI=1S/C6H16N2/c1-6(2,3)5(8)4-7/h5H,4,7-8H2,1-3H3
InChIKeyKKMKAWJAGGJWTJ-UHFFFAOYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butanamine, 3,3-dimethyl-
CID 520907
3,3-Dimethylbutan-2-amine hydrochloride
CID 3041170
(R)-3,3-Dimethyl-2-aminobutane
CID 5324845
(2S)-3,3-dimethylbutan-2-amine
CID 7004913
2,2-Dimethylbutane-1,4-diamine
CID 10796727
(S)-3,3-Dimethylbutan-2-amine hydrochloride
CID 23520136
3,3-Dimethylbutane-1,2-diamine dihydrochloride
CID 90485514
(2R)-3,3-dimethylbutan-2-amine hydrochloride
CID 124220452
4,4-Dimethylpentane-1,2-diamine
CID 62952309
2,2,5,5-Tetramethylhexane-3,4-diamine
CID 18175385
Trimethylpropanediamine
CID 129668907
[(2R)-3,3-dimethylbutan-2-yl]azanium chloride
CID 134942137

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 3,3-dimethylbutane-1,2-diamine (CID 5201578) is 3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 3,3-dimethylbutane-1,2-diamine is CC(C)(C)C(N)CN.
What is the InChIKey of 3,3-dimethylbutane-1,2-diamine?
The InChIKey is KKMKAWJAGGJWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-6(2,3)5(8)4-7/h5H,4,7-8H2,1-3H3.
What are the key properties of 3,3-dimethylbutane-1,2-diamine?
3,3-dimethylbutane-1,2-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 5201578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).