(E)-5-(methylamino)hept-2-en-4-ol

C8H17NO — CID 55286024

IUPAC(E)-5-(methylamino)hept-2-en-4-ol
SMILESC/C=C/C(O)C(CC)NC
InChIInChI=1S/C8H17NO/c1-4-6-8(10)7(5-2)9-3/h4,6-10H,5H2,1-3H3/b6-4+
InChIKeySNRUAPOQADGVIZ-GQCTYLIASA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds4

About (E)-5-(methylamino)hept-2-en-4-ol

(E)-5-(methylamino)hept-2-en-4-ol (PubChem CID 55286024) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-5-(methylamino)hept-2-en-4-ol.

Molecular Properties

Compound Name(E)-5-(methylamino)hept-2-en-4-ol
PubChem CID55286024
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-5-(methylamino)hept-2-en-4-ol
SMILESC/C=C/C(O)C(CC)NC
InChIInChI=1S/C8H17NO/c1-4-6-8(10)7(5-2)9-3/h4,6-10H,5H2,1-3H3/b6-4+
InChIKeySNRUAPOQADGVIZ-GQCTYLIASA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
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 (E)-5-(methylamino)hept-2-en-4-ol?
The IUPAC name of (E)-5-(methylamino)hept-2-en-4-ol (CID 55286024) is (E)-5-(methylamino)hept-2-en-4-ol.
What is the SMILES notation for (E)-5-(methylamino)hept-2-en-4-ol?
The canonical SMILES for (E)-5-(methylamino)hept-2-en-4-ol is C/C=C/C(O)C(CC)NC.
What is the InChIKey of (E)-5-(methylamino)hept-2-en-4-ol?
The InChIKey is SNRUAPOQADGVIZ-GQCTYLIASA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-8(10)7(5-2)9-3/h4,6-10H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-5-(methylamino)hept-2-en-4-ol?
(E)-5-(methylamino)hept-2-en-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(methylamino)hept-2-en-4-ol is sourced from PubChem (CID 55286024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).