3-N,3-N-dimethylhexane-2,3-diamine

C8H20N2 — CID 116904410

IUPAC3-N,3-N-dimethylhexane-2,3-diamine
SMILESCCCC(C(C)N)N(C)C
InChIInChI=1S/C8H20N2/c1-5-6-8(7(2)9)10(3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyKCDBOIXADGQREE-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.06
Rot. Bonds4

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

3-N,3-N-dimethylhexane-2,3-diamine (PubChem CID 116904410) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-N,3-N-dimethylhexane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethylhexane-2,3-diamine
PubChem CID116904410
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-N,3-N-dimethylhexane-2,3-diamine
SMILESCCCC(C(C)N)N(C)C
InChIInChI=1S/C8H20N2/c1-5-6-8(7(2)9)10(3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyKCDBOIXADGQREE-UHFFFAOYSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-dimethylhexane-2,3-diamine
CID 82417789
3-(dimethylamino)-2-propan-2-ylhexanoic acid
CID 116913148
(2S)-pentan-2-amine
CID 6997344
2-[(1R)-1-aminoethyl]pentan-1-ol
CID 163501333
pentan-2-amine;propane
CID 166536368
(2S,3S)-2-aminohexan-3-ol
CID 55285025
3-[methyl(propan-2-yl)amino]hexan-2-ol
CID 89003622
(4R,5R)-octane-4,5-diamine
CID 13138963
1-N',1-N'-dimethylpentane-1,1-diamine
CID 18183747
N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethylhexane-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethylhexane-2,3-diamine (CID 116904410) is 3-N,3-N-dimethylhexane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethylhexane-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethylhexane-2,3-diamine is CCCC(C(C)N)N(C)C.
What is the InChIKey of 3-N,3-N-dimethylhexane-2,3-diamine?
The InChIKey is KCDBOIXADGQREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-5-6-8(7(2)9)10(3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 3-N,3-N-dimethylhexane-2,3-diamine?
3-N,3-N-dimethylhexane-2,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethylhexane-2,3-diamine is sourced from PubChem (CID 116904410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).