2,2-dimethylbutane-1,3-diamine

C6H16N2 — CID 22255870

IUPAC2,2-dimethylbutane-1,3-diamine
SMILESCC(N)C(C)(C)CN
InChIInChI=1S/C6H16N2/c1-5(8)6(2,3)4-7/h5H,4,7-8H2,1-3H3
InChIKeyKMKROLUYWRLWCT-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.32
Rot. Bonds2

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

2,2-dimethylbutane-1,3-diamine (PubChem CID 22255870) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 2,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethylbutane-1,3-diamine
PubChem CID22255870
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name2,2-dimethylbutane-1,3-diamine
SMILESCC(N)C(C)(C)CN
InChIInChI=1S/C6H16N2/c1-5(8)6(2,3)4-7/h5H,4,7-8H2,1-3H3
InChIKeyKMKROLUYWRLWCT-UHFFFAOYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410
3,3,5,5-tetramethylhexan-2-amine
CID 143433307
5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
5-amino-3,4,4-trimethylpentan-2-ol
CID 130514641
(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653
3,3-dichloro-2,2-dimethylpropan-1-amine
CID 175054384
3,3-dimethylhex-5-en-2-amine
CID 130019272
3-fluoro-2,2-dimethylpentan-1-amine
CID 105427765
3-methylpentane-1,2,3,4-tetramine
CID 90456195
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
1-cyclopentyl-2,2-dimethylpropane-1,3-diamine
CID 116933489
4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
CID 126980720

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane-1,3-diamine?
The IUPAC name of 2,2-dimethylbutane-1,3-diamine (CID 22255870) is 2,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 2,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 2,2-dimethylbutane-1,3-diamine is CC(N)C(C)(C)CN.
What is the InChIKey of 2,2-dimethylbutane-1,3-diamine?
The InChIKey is KMKROLUYWRLWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(8)6(2,3)4-7/h5H,4,7-8H2,1-3H3.
What are the key properties of 2,2-dimethylbutane-1,3-diamine?
2,2-dimethylbutane-1,3-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 22255870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).