5-aminohept-6-en-2-ol

C7H15NO — CID 88982076

IUPAC5-aminohept-6-en-2-ol
SMILESC=CC(N)CCC(C)O
InChIInChI=1S/C7H15NO/c1-3-7(8)5-4-6(2)9/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyQMWZWFPNWLMMKZ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds4

About 5-aminohept-6-en-2-ol

5-aminohept-6-en-2-ol (PubChem CID 88982076) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-aminohept-6-en-2-ol.

Molecular Properties

Compound Name5-aminohept-6-en-2-ol
PubChem CID88982076
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-aminohept-6-en-2-ol
SMILESC=CC(N)CCC(C)O
InChIInChI=1S/C7H15NO/c1-3-7(8)5-4-6(2)9/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyQMWZWFPNWLMMKZ-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 5-aminohept-6-en-2-ol?
The IUPAC name of 5-aminohept-6-en-2-ol (CID 88982076) is 5-aminohept-6-en-2-ol.
What is the SMILES notation for 5-aminohept-6-en-2-ol?
The canonical SMILES for 5-aminohept-6-en-2-ol is C=CC(N)CCC(C)O.
What is the InChIKey of 5-aminohept-6-en-2-ol?
The InChIKey is QMWZWFPNWLMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-7(8)5-4-6(2)9/h3,6-7,9H,1,4-5,8H2,2H3.
What are the key properties of 5-aminohept-6-en-2-ol?
5-aminohept-6-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminohept-6-en-2-ol is sourced from PubChem (CID 88982076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).