(3S)-3-amino-5-methylhexan-1-ol

C7H17NO — CID 57368607

IUPAC(3S)-3-amino-5-methylhexan-1-ol
SMILESCC(C)C[C@H](N)CCO
InChIInChI=1S/C7H17NO/c1-6(2)5-7(8)3-4-9/h6-7,9H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyISULOSAJSWGBQR-SSDOTTSWSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds4

About (3S)-3-amino-5-methylhexan-1-ol

(3S)-3-amino-5-methylhexan-1-ol (PubChem CID 57368607) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (3S)-3-amino-5-methylhexan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-5-methylhexan-1-ol
PubChem CID57368607
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(3S)-3-amino-5-methylhexan-1-ol
SMILESCC(C)C[C@H](N)CCO
InChIInChI=1S/C7H17NO/c1-6(2)5-7(8)3-4-9/h6-7,9H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyISULOSAJSWGBQR-SSDOTTSWSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 (3S)-3-amino-5-methylhexan-1-ol?
The IUPAC name of (3S)-3-amino-5-methylhexan-1-ol (CID 57368607) is (3S)-3-amino-5-methylhexan-1-ol.
What is the SMILES notation for (3S)-3-amino-5-methylhexan-1-ol?
The canonical SMILES for (3S)-3-amino-5-methylhexan-1-ol is CC(C)C[C@H](N)CCO.
What is the InChIKey of (3S)-3-amino-5-methylhexan-1-ol?
The InChIKey is ISULOSAJSWGBQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)5-7(8)3-4-9/h6-7,9H,3-5,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (3S)-3-amino-5-methylhexan-1-ol?
(3S)-3-amino-5-methylhexan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-methylhexan-1-ol is sourced from PubChem (CID 57368607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).