(2S,3S)-2-amino-3-methylhex-5-en-3-ol

C7H15NO — CID 58522348

IUPAC(2S,3S)-2-amino-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@H](C)N
InChIInChI=1S/C7H15NO/c1-4-5-7(3,9)6(2)8/h4,6,9H,1,5,8H2,2-3H3/t6-,7-/m0/s1
InChIKeyCYWSFTZMRRSIIC-BQBZGAKWSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds3

About (2S,3S)-2-amino-3-methylhex-5-en-3-ol

(2S,3S)-2-amino-3-methylhex-5-en-3-ol (PubChem CID 58522348) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methylhex-5-en-3-ol
PubChem CID58522348
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S,3S)-2-amino-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@H](C)N
InChIInChI=1S/C7H15NO/c1-4-5-7(3,9)6(2)8/h4,6,9H,1,5,8H2,2-3H3/t6-,7-/m0/s1
InChIKeyCYWSFTZMRRSIIC-BQBZGAKWSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methylhex-5-en-3-ol?
The IUPAC name of (2S,3S)-2-amino-3-methylhex-5-en-3-ol (CID 58522348) is (2S,3S)-2-amino-3-methylhex-5-en-3-ol.
What is the SMILES notation for (2S,3S)-2-amino-3-methylhex-5-en-3-ol?
The canonical SMILES for (2S,3S)-2-amino-3-methylhex-5-en-3-ol is C=CC[C@](C)(O)[C@H](C)N.
What is the InChIKey of (2S,3S)-2-amino-3-methylhex-5-en-3-ol?
The InChIKey is CYWSFTZMRRSIIC-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(3,9)6(2)8/h4,6,9H,1,5,8H2,2-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methylhex-5-en-3-ol?
(2S,3S)-2-amino-3-methylhex-5-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methylhex-5-en-3-ol is sourced from PubChem (CID 58522348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).