5-(aminomethyl)oct-7-en-2-ol

C9H19NO — CID 89155232

IUPAC5-(aminomethyl)oct-7-en-2-ol
SMILESC=CCC(CN)CCC(C)O
InChIInChI=1S/C9H19NO/c1-3-4-9(7-10)6-5-8(2)11/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyXNSKRLDOEZTWII-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.30
Rot. Bonds6

About 5-(aminomethyl)oct-7-en-2-ol

5-(aminomethyl)oct-7-en-2-ol (PubChem CID 89155232) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(aminomethyl)oct-7-en-2-ol.

Molecular Properties

Compound Name5-(aminomethyl)oct-7-en-2-ol
PubChem CID89155232
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(aminomethyl)oct-7-en-2-ol
SMILESC=CCC(CN)CCC(C)O
InChIInChI=1S/C9H19NO/c1-3-4-9(7-10)6-5-8(2)11/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyXNSKRLDOEZTWII-UHFFFAOYSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.30
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-(aminomethyl)oct-7-en-2-ol?
The IUPAC name of 5-(aminomethyl)oct-7-en-2-ol (CID 89155232) is 5-(aminomethyl)oct-7-en-2-ol.
What is the SMILES notation for 5-(aminomethyl)oct-7-en-2-ol?
The canonical SMILES for 5-(aminomethyl)oct-7-en-2-ol is C=CCC(CN)CCC(C)O.
What is the InChIKey of 5-(aminomethyl)oct-7-en-2-ol?
The InChIKey is XNSKRLDOEZTWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-9(7-10)6-5-8(2)11/h3,8-9,11H,1,4-7,10H2,2H3.
What are the key properties of 5-(aminomethyl)oct-7-en-2-ol?
5-(aminomethyl)oct-7-en-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)oct-7-en-2-ol is sourced from PubChem (CID 89155232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).