4-methyl-6-(methylamino)hexane-1,2-diol

C8H19NO2 — CID 171648531

IUPAC4-methyl-6-(methylamino)hexane-1,2-diol
SMILESCNCCC(C)CC(O)CO
InChIInChI=1S/C8H19NO2/c1-7(3-4-9-2)5-8(11)6-10/h7-11H,3-6H2,1-2H3
InChIKeyXEPIPYFGNZANBP-UHFFFAOYSA-N
MW161.24 g/mol
LogP-0.02
Rot. Bonds6

About 4-methyl-6-(methylamino)hexane-1,2-diol

4-methyl-6-(methylamino)hexane-1,2-diol (PubChem CID 171648531) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 4-methyl-6-(methylamino)hexane-1,2-diol.

Molecular Properties

Compound Name4-methyl-6-(methylamino)hexane-1,2-diol
PubChem CID171648531
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name4-methyl-6-(methylamino)hexane-1,2-diol
SMILESCNCCC(C)CC(O)CO
InChIInChI=1S/C8H19NO2/c1-7(3-4-9-2)5-8(11)6-10/h7-11H,3-6H2,1-2H3
InChIKeyXEPIPYFGNZANBP-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dihydroxy-3-methylhexyl)propanamide
CID 170744814
(2S)-6-(methylamino)hexane-1,2-diol
CID 89283618
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
(7S)-7,8-dihydroxy-2,5-dimethyloct-1-en-1-one
CID 142382637
N,3-dimethylpentan-1-amine;ethane
CID 142089517
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830
N,3,6-trimethylnonan-1-amine
CID 139316935
(5S)-5-methyl-7-(methylamino)heptan-2-one
CID 89328211
4-aminopentane-1,2-diol
CID 12701364
(1S)-1-cyclopropyl-3-(methylamino)propan-1-ol
CID 129371678
4-fluoro-1-(methylamino)pentan-3-ol
CID 174427700

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(methylamino)hexane-1,2-diol?
The IUPAC name of 4-methyl-6-(methylamino)hexane-1,2-diol (CID 171648531) is 4-methyl-6-(methylamino)hexane-1,2-diol.
What is the SMILES notation for 4-methyl-6-(methylamino)hexane-1,2-diol?
The canonical SMILES for 4-methyl-6-(methylamino)hexane-1,2-diol is CNCCC(C)CC(O)CO.
What is the InChIKey of 4-methyl-6-(methylamino)hexane-1,2-diol?
The InChIKey is XEPIPYFGNZANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(3-4-9-2)5-8(11)6-10/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-methyl-6-(methylamino)hexane-1,2-diol?
4-methyl-6-(methylamino)hexane-1,2-diol has a molecular weight of 161.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(methylamino)hexane-1,2-diol is sourced from PubChem (CID 171648531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).