7-aminohept-1-en-2-ol

C7H15NO — CID 89084096

IUPAC7-aminohept-1-en-2-ol
SMILESC=C(O)CCCCCN
InChIInChI=1S/C7H15NO/c1-7(9)5-3-2-4-6-8/h9H,1-6,8H2
InChIKeyILOUXHBHFJRXLC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.58
Rot. Bonds5

About 7-aminohept-1-en-2-ol

7-aminohept-1-en-2-ol (PubChem CID 89084096) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 7-aminohept-1-en-2-ol.

Molecular Properties

Compound Name7-aminohept-1-en-2-ol
PubChem CID89084096
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name7-aminohept-1-en-2-ol
SMILESC=C(O)CCCCCN
InChIInChI=1S/C7H15NO/c1-7(9)5-3-2-4-6-8/h9H,1-6,8H2
InChIKeyILOUXHBHFJRXLC-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-aminohept-1-en-2-ol?
The IUPAC name of 7-aminohept-1-en-2-ol (CID 89084096) is 7-aminohept-1-en-2-ol.
What is the SMILES notation for 7-aminohept-1-en-2-ol?
The canonical SMILES for 7-aminohept-1-en-2-ol is C=C(O)CCCCCN.
What is the InChIKey of 7-aminohept-1-en-2-ol?
The InChIKey is ILOUXHBHFJRXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(9)5-3-2-4-6-8/h9H,1-6,8H2.
What are the key properties of 7-aminohept-1-en-2-ol?
7-aminohept-1-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminohept-1-en-2-ol is sourced from PubChem (CID 89084096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).