3-(aminomethyl)hex-5-en-1-ol

C7H15NO — CID 10678262

IUPAC3-(aminomethyl)hex-5-en-1-ol
SMILESC=CCC(CN)CCO
InChIInChI=1S/C7H15NO/c1-2-3-7(6-8)4-5-9/h2,7,9H,1,3-6,8H2
InChIKeyWCBCCTYKXKGIIN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.52
Rot. Bonds5

About 3-(aminomethyl)hex-5-en-1-ol

3-(aminomethyl)hex-5-en-1-ol (PubChem CID 10678262) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(aminomethyl)hex-5-en-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)hex-5-en-1-ol
PubChem CID10678262
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(aminomethyl)hex-5-en-1-ol
SMILESC=CCC(CN)CCO
InChIInChI=1S/C7H15NO/c1-2-3-7(6-8)4-5-9/h2,7,9H,1,3-6,8H2
InChIKeyWCBCCTYKXKGIIN-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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 3-(aminomethyl)hex-5-en-1-ol?
The IUPAC name of 3-(aminomethyl)hex-5-en-1-ol (CID 10678262) is 3-(aminomethyl)hex-5-en-1-ol.
What is the SMILES notation for 3-(aminomethyl)hex-5-en-1-ol?
The canonical SMILES for 3-(aminomethyl)hex-5-en-1-ol is C=CCC(CN)CCO.
What is the InChIKey of 3-(aminomethyl)hex-5-en-1-ol?
The InChIKey is WCBCCTYKXKGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-7(6-8)4-5-9/h2,7,9H,1,3-6,8H2.
What are the key properties of 3-(aminomethyl)hex-5-en-1-ol?
3-(aminomethyl)hex-5-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)hex-5-en-1-ol is sourced from PubChem (CID 10678262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).