1-amino-2,4-dimethylhexan-3-ol

C8H19NO — CID 65190310

IUPAC1-amino-2,4-dimethylhexan-3-ol
SMILESCCC(C)C(O)C(C)CN
InChIInChI=1S/C8H19NO/c1-4-6(2)8(10)7(3)5-9/h6-8,10H,4-5,9H2,1-3H3
InChIKeyWSSVCXFYLRWUHL-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.99
Rot. Bonds4

About 1-amino-2,4-dimethylhexan-3-ol

1-amino-2,4-dimethylhexan-3-ol (PubChem CID 65190310) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-amino-2,4-dimethylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2,4-dimethylhexan-3-ol
PubChem CID65190310
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-amino-2,4-dimethylhexan-3-ol
SMILESCCC(C)C(O)C(C)CN
InChIInChI=1S/C8H19NO/c1-4-6(2)8(10)7(3)5-9/h6-8,10H,4-5,9H2,1-3H3
InChIKeyWSSVCXFYLRWUHL-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-4-methylhexan-3-ol
CID 164643928
(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577
5-methylheptane-3,4-diol
CID 21486220
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
CID 62397567
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
4-amino-3-methylbutan-2-ol;methane
CID 158476628
3-fluoro-2,4-dimethylhexan-1-amine
CID 130604677
(2S,3R)-3-methylpentan-2-ol
CID 6993006
5-amino-4-methylpentane-1,3-diol
CID 141480720
2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane
CID 159479339

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,4-dimethylhexan-3-ol?
The IUPAC name of 1-amino-2,4-dimethylhexan-3-ol (CID 65190310) is 1-amino-2,4-dimethylhexan-3-ol.
What is the SMILES notation for 1-amino-2,4-dimethylhexan-3-ol?
The canonical SMILES for 1-amino-2,4-dimethylhexan-3-ol is CCC(C)C(O)C(C)CN.
What is the InChIKey of 1-amino-2,4-dimethylhexan-3-ol?
The InChIKey is WSSVCXFYLRWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6(2)8(10)7(3)5-9/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 1-amino-2,4-dimethylhexan-3-ol?
1-amino-2,4-dimethylhexan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,4-dimethylhexan-3-ol is sourced from PubChem (CID 65190310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).