(2S,3S)-3-amino-5-methylhexan-2-ol

C7H17NO — CID 91056758

IUPAC(2S,3S)-3-amino-5-methylhexan-2-ol
SMILESCC(C)C[C@H](N)[C@H](C)O
InChIInChI=1S/C7H17NO/c1-5(2)4-7(8)6(3)9/h5-7,9H,4,8H2,1-3H3/t6-,7-/m0/s1
InChIKeyMGJSTMLRSUCUET-BQBZGAKWSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds3

About (2S,3S)-3-amino-5-methylhexan-2-ol

(2S,3S)-3-amino-5-methylhexan-2-ol (PubChem CID 91056758) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S,3S)-3-amino-5-methylhexan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-5-methylhexan-2-ol
PubChem CID91056758
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S,3S)-3-amino-5-methylhexan-2-ol
SMILESCC(C)C[C@H](N)[C@H](C)O
InChIInChI=1S/C7H17NO/c1-5(2)4-7(8)6(3)9/h5-7,9H,4,8H2,1-3H3/t6-,7-/m0/s1
InChIKeyMGJSTMLRSUCUET-BQBZGAKWSA-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 (2S,3S)-3-amino-5-methylhexan-2-ol?
The IUPAC name of (2S,3S)-3-amino-5-methylhexan-2-ol (CID 91056758) is (2S,3S)-3-amino-5-methylhexan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-5-methylhexan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-5-methylhexan-2-ol is CC(C)C[C@H](N)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-amino-5-methylhexan-2-ol?
The InChIKey is MGJSTMLRSUCUET-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H17NO/c1-5(2)4-7(8)6(3)9/h5-7,9H,4,8H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-amino-5-methylhexan-2-ol?
(2S,3S)-3-amino-5-methylhexan-2-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 (2S,3S)-3-amino-5-methylhexan-2-ol is sourced from PubChem (CID 91056758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).