3-amino-3-methylpentan-2-ol

C12H30N2O2 — CID 159077240

IUPAC3-amino-3-methylpentan-2-ol
SMILESCCC(C)(N)C(C)O.CCC(C)(N)C(C)O
InChIInChI=1S/2C6H15NO/c2*1-4-6(3,7)5(2)8/h2*5,8H,4,7H2,1-3H3
InChIKeyKAKDSVKWUIKINM-UHFFFAOYSA-N
MW234.38 g/mol
LogP0.99
Rot. Bonds4

About 3-amino-3-methylpentan-2-ol

3-amino-3-methylpentan-2-ol (PubChem CID 159077240) has the molecular formula C12H30N2O2 and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-amino-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-amino-3-methylpentan-2-ol
PubChem CID159077240
Molecular FormulaC12H30N2O2
Molecular Weight234.38 g/mol
Exact Mass234.23
IUPAC Name3-amino-3-methylpentan-2-ol
SMILESCCC(C)(N)C(C)O.CCC(C)(N)C(C)O
InChIInChI=1S/2C6H15NO/c2*1-4-6(3,7)5(2)8/h2*5,8H,4,7H2,1-3H3
InChIKeyKAKDSVKWUIKINM-UHFFFAOYSA-N
XLogP0.99
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

azane;3-methylpentane-2,3-diamine
CID 174323665
3-amino-2-hydroxy-3-methylpentanoic acid
CID 55290367
3,4,4-trimethylhexane-2,3-diol
CID 67159588
2,3-dimethylpentane-1,3-diamine
CID 141278294
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
(2S)-1-aminopropane-1,1,2-triol
CID 25141054
3-aminohexane-2,3-diol
CID 87595978
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
3-methyl-3-propylhexan-2-ol
CID 20501676
3,3,4-triaminobutan-2-ol
CID 87234105
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylpentan-2-ol?
The IUPAC name of 3-amino-3-methylpentan-2-ol (CID 159077240) is 3-amino-3-methylpentan-2-ol.
What is the SMILES notation for 3-amino-3-methylpentan-2-ol?
The canonical SMILES for 3-amino-3-methylpentan-2-ol is CCC(C)(N)C(C)O.CCC(C)(N)C(C)O.
What is the InChIKey of 3-amino-3-methylpentan-2-ol?
The InChIKey is KAKDSVKWUIKINM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO/c2*1-4-6(3,7)5(2)8/h2*5,8H,4,7H2,1-3H3.
What are the key properties of 3-amino-3-methylpentan-2-ol?
3-amino-3-methylpentan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylpentan-2-ol is sourced from PubChem (CID 159077240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).