2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol

C9H17NO — CID 123346182

IUPAC2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol
SMILESC=C(C)C(C=CC)(CN)CO
InChIInChI=1S/C9H17NO/c1-4-5-9(6-10,7-11)8(2)3/h4-5,11H,2,6-7,10H2,1,3H3
InChIKeyOTIWGWWSGOTPFB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.08
Rot. Bonds4

About 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol

2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol (PubChem CID 123346182) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol
PubChem CID123346182
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol
SMILESC=C(C)C(C=CC)(CN)CO
InChIInChI=1S/C9H17NO/c1-4-5-9(6-10,7-11)8(2)3/h4-5,11H,2,6-7,10H2,1,3H3
InChIKeyOTIWGWWSGOTPFB-UHFFFAOYSA-N
XLogP1.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.08
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 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol?
The IUPAC name of 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol (CID 123346182) is 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol is C=C(C)C(C=CC)(CN)CO.
What is the InChIKey of 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol?
The InChIKey is OTIWGWWSGOTPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-9(6-10,7-11)8(2)3/h4-5,11H,2,6-7,10H2,1,3H3.
What are the key properties of 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol?
2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-prop-1-en-2-ylpent-3-en-1-ol is sourced from PubChem (CID 123346182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).