(2R)-2-amino-4-methylhexan-3-ol

C7H17NO — CID 164643928

IUPAC(2R)-2-amino-4-methylhexan-3-ol
SMILESCCC(C)C(O)[C@@H](C)N
InChIInChI=1S/C7H17NO/c1-4-5(2)7(9)6(3)8/h5-7,9H,4,8H2,1-3H3/t5?,6-,7?/m1/s1
InChIKeyIKHCCIBSTXBQBP-YURFNIAASA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds3

About (2R)-2-amino-4-methylhexan-3-ol

(2R)-2-amino-4-methylhexan-3-ol (PubChem CID 164643928) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R)-2-amino-4-methylhexan-3-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-methylhexan-3-ol
PubChem CID164643928
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R)-2-amino-4-methylhexan-3-ol
SMILESCCC(C)C(O)[C@@H](C)N
InChIInChI=1S/C7H17NO/c1-4-5(2)7(9)6(3)8/h5-7,9H,4,8H2,1-3H3/t5?,6-,7?/m1/s1
InChIKeyIKHCCIBSTXBQBP-YURFNIAASA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylhexan-3-ol?
The IUPAC name of (2R)-2-amino-4-methylhexan-3-ol (CID 164643928) is (2R)-2-amino-4-methylhexan-3-ol.
What is the SMILES notation for (2R)-2-amino-4-methylhexan-3-ol?
The canonical SMILES for (2R)-2-amino-4-methylhexan-3-ol is CCC(C)C(O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-4-methylhexan-3-ol?
The InChIKey is IKHCCIBSTXBQBP-YURFNIAASA-N. The full InChI is InChI=1S/C7H17NO/c1-4-5(2)7(9)6(3)8/h5-7,9H,4,8H2,1-3H3/t5?,6-,7?/m1/s1.
What are the key properties of (2R)-2-amino-4-methylhexan-3-ol?
(2R)-2-amino-4-methylhexan-3-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylhexan-3-ol is sourced from PubChem (CID 164643928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).