3-amino-5-methylhexane-1,2-diol

C7H17NO2 — CID 85255378

IUPAC3-amino-5-methylhexane-1,2-diol
SMILESCC(C)CC(N)C(O)CO
InChIInChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyOMCIQBXZJIKYIY-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.29
Rot. Bonds4

About 3-amino-5-methylhexane-1,2-diol

3-amino-5-methylhexane-1,2-diol (PubChem CID 85255378) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-amino-5-methylhexane-1,2-diol.

Molecular Properties

Compound Name3-amino-5-methylhexane-1,2-diol
PubChem CID85255378
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name3-amino-5-methylhexane-1,2-diol
SMILESCC(C)CC(N)C(O)CO
InChIInChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyOMCIQBXZJIKYIY-UHFFFAOYSA-N
XLogP-0.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2,7-dimethyloctan-4-ol
CID 54358847
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
(2R,3S,4S)-4-amino-2,6-dimethylheptane-1,3-diol
CID 137347836
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
4-amino-6-methylheptan-3-ol;carbonic acid
CID 88724279
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
3-amino-2-ethyl-5-methylhexan-1-ol
CID 116945255
4-amino-2-methylundecan-5-ol
CID 72805371
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
5-amino-2-methylheptan-4-ol
CID 21419745
(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide
CID 131863647

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylhexane-1,2-diol?
The IUPAC name of 3-amino-5-methylhexane-1,2-diol (CID 85255378) is 3-amino-5-methylhexane-1,2-diol.
What is the SMILES notation for 3-amino-5-methylhexane-1,2-diol?
The canonical SMILES for 3-amino-5-methylhexane-1,2-diol is CC(C)CC(N)C(O)CO.
What is the InChIKey of 3-amino-5-methylhexane-1,2-diol?
The InChIKey is OMCIQBXZJIKYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 3-amino-5-methylhexane-1,2-diol?
3-amino-5-methylhexane-1,2-diol has a molecular weight of 147.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylhexane-1,2-diol is sourced from PubChem (CID 85255378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).