2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol

C11H21NO — CID 88501618

IUPAC2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)CCCN
InChIInChI=1S/C11H21NO/c1-3-6-11(10-13,7-4-2)8-5-9-12/h3-4,13H,1-2,5-10,12H2
InChIKeyJNGTZKZKTKYRIK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.86
Rot. Bonds8

About 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol

2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol (PubChem CID 88501618) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol
PubChem CID88501618
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)CCCN
InChIInChI=1S/C11H21NO/c1-3-6-11(10-13,7-4-2)8-5-9-12/h3-4,13H,1-2,5-10,12H2
InChIKeyJNGTZKZKTKYRIK-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.86
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-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol?
The IUPAC name of 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol (CID 88501618) is 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol.
What is the SMILES notation for 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol?
The canonical SMILES for 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol is C=CCC(CO)(CC=C)CCCN.
What is the InChIKey of 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol?
The InChIKey is JNGTZKZKTKYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-6-11(10-13,7-4-2)8-5-9-12/h3-4,13H,1-2,5-10,12H2.
What are the key properties of 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol?
2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-2-prop-2-enylpent-4-en-1-ol is sourced from PubChem (CID 88501618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).