(4S)-4-amino-5-methylhex-2-en-3-ol

C7H15NO — CID 122522400

IUPAC(4S)-4-amino-5-methylhex-2-en-3-ol
SMILESCC=C(O)[C@@H](N)C(C)C
InChIInChI=1S/C7H15NO/c1-4-6(9)7(8)5(2)3/h4-5,7,9H,8H2,1-3H3/t7-/m0/s1
InChIKeyJCLFGLQMVRNFLZ-ZETCQYMHSA-N
MW129.20 g/mol
LogP1.43
Rot. Bonds2

About (4S)-4-amino-5-methylhex-2-en-3-ol

(4S)-4-amino-5-methylhex-2-en-3-ol (PubChem CID 122522400) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4S)-4-amino-5-methylhex-2-en-3-ol.

Molecular Properties

Compound Name(4S)-4-amino-5-methylhex-2-en-3-ol
PubChem CID122522400
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4S)-4-amino-5-methylhex-2-en-3-ol
SMILESCC=C(O)[C@@H](N)C(C)C
InChIInChI=1S/C7H15NO/c1-4-6(9)7(8)5(2)3/h4-5,7,9H,8H2,1-3H3/t7-/m0/s1
InChIKeyJCLFGLQMVRNFLZ-ZETCQYMHSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-methylhex-2-en-3-ol?
The IUPAC name of (4S)-4-amino-5-methylhex-2-en-3-ol (CID 122522400) is (4S)-4-amino-5-methylhex-2-en-3-ol.
What is the SMILES notation for (4S)-4-amino-5-methylhex-2-en-3-ol?
The canonical SMILES for (4S)-4-amino-5-methylhex-2-en-3-ol is CC=C(O)[C@@H](N)C(C)C.
What is the InChIKey of (4S)-4-amino-5-methylhex-2-en-3-ol?
The InChIKey is JCLFGLQMVRNFLZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(9)7(8)5(2)3/h4-5,7,9H,8H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-4-amino-5-methylhex-2-en-3-ol?
(4S)-4-amino-5-methylhex-2-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-methylhex-2-en-3-ol is sourced from PubChem (CID 122522400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).