3-amino-5-methylhexan-3-ol

C7H17NO — CID 19828897

IUPAC3-amino-5-methylhexan-3-ol
SMILESCCC(N)(O)CC(C)C
InChIInChI=1S/C7H17NO/c1-4-7(8,9)5-6(2)3/h6,9H,4-5,8H2,1-3H3
InChIKeyPWULBPCZCPPLNN-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.09
Rot. Bonds3

About 3-amino-5-methylhexan-3-ol

3-amino-5-methylhexan-3-ol (PubChem CID 19828897) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-amino-5-methylhexan-3-ol.

Molecular Properties

Compound Name3-amino-5-methylhexan-3-ol
PubChem CID19828897
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-amino-5-methylhexan-3-ol
SMILESCCC(N)(O)CC(C)C
InChIInChI=1S/C7H17NO/c1-4-7(8,9)5-6(2)3/h6,9H,4-5,8H2,1-3H3
InChIKeyPWULBPCZCPPLNN-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-5-methylhexane-1,3-diol
CID 130357952
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
(2S)-2-ethyl-2-hydroxy-4-methylpentanamide
CID 175974916
2-ethyl-2-fluoro-4-methylpentan-1-ol
CID 160606939
4-amino-4-ethyl-2,2,6-trimethylheptan-3-one
CID 167343881
methanamine;2-methylbutan-2-ol
CID 142079467
6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
CID 114865537
(4S)-4-amino-4,6-dimethylheptan-3-one
CID 138509881
3-ethyl-3,5-dimethylhexan-2-amine
CID 146359872
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
3-aminohexane-2,3-diol
CID 87595978
5-(2-methylpropyl)nonan-5-amine
CID 88761377

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylhexan-3-ol?
The IUPAC name of 3-amino-5-methylhexan-3-ol (CID 19828897) is 3-amino-5-methylhexan-3-ol.
What is the SMILES notation for 3-amino-5-methylhexan-3-ol?
The canonical SMILES for 3-amino-5-methylhexan-3-ol is CCC(N)(O)CC(C)C.
What is the InChIKey of 3-amino-5-methylhexan-3-ol?
The InChIKey is PWULBPCZCPPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(8,9)5-6(2)3/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 3-amino-5-methylhexan-3-ol?
3-amino-5-methylhexan-3-ol has a molecular weight of 131.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylhexan-3-ol is sourced from PubChem (CID 19828897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).