5-amino-5-methylhexan-2-ol

C7H17NO — CID 13107683

IUPAC5-amino-5-methylhexan-2-ol
SMILESCC(O)CCC(C)(C)N
InChIInChI=1S/C7H17NO/c1-6(9)4-5-7(2,3)8/h6,9H,4-5,8H2,1-3H3
InChIKeyKHAIUJDFVOWPRD-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.88
Rot. Bonds3

About 5-amino-5-methylhexan-2-ol

5-amino-5-methylhexan-2-ol (PubChem CID 13107683) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 5-amino-5-methylhexan-2-ol.

Molecular Properties

Compound Name5-amino-5-methylhexan-2-ol
PubChem CID13107683
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name5-amino-5-methylhexan-2-ol
SMILESCC(O)CCC(C)(C)N
InChIInChI=1S/C7H17NO/c1-6(9)4-5-7(2,3)8/h6,9H,4-5,8H2,1-3H3
InChIKeyKHAIUJDFVOWPRD-UHFFFAOYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-amino-3-methylbutyl)amino]ethanol
CID 174756384
[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929
pentadecane-2,5,8,11,14-pentol
CID 175190041
5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
CID 147314625
ethane;hexane-2,5-diol
CID 143963822
decane-2,4,7,9-tetrol
CID 87436016
3-amino-3-methylbutan-1-ol
CID 641000
(3S)-2-methylheptane-2,3,6-triol
CID 102349407
(5R)-5-aminohexan-2-ol
CID 144692574
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
5-ethyl-7-methoxy-5-methylheptan-2-ol
CID 123828259
2-methylbutan-2-ol;pentan-2-ol
CID 157230462

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methylhexan-2-ol?
The IUPAC name of 5-amino-5-methylhexan-2-ol (CID 13107683) is 5-amino-5-methylhexan-2-ol.
What is the SMILES notation for 5-amino-5-methylhexan-2-ol?
The canonical SMILES for 5-amino-5-methylhexan-2-ol is CC(O)CCC(C)(C)N.
What is the InChIKey of 5-amino-5-methylhexan-2-ol?
The InChIKey is KHAIUJDFVOWPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(9)4-5-7(2,3)8/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 5-amino-5-methylhexan-2-ol?
5-amino-5-methylhexan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methylhexan-2-ol is sourced from PubChem (CID 13107683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).