4-(pent-4-enylamino)butan-1-ol

C9H19NO — CID 106841617

IUPAC4-(pent-4-enylamino)butan-1-ol
SMILESC=CCCCNCCCCO
InChIInChI=1S/C9H19NO/c1-2-3-4-7-10-8-5-6-9-11/h2,10-11H,1,3-9H2
InChIKeySHYVACRLDICWHN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds8

About 4-(pent-4-enylamino)butan-1-ol

4-(pent-4-enylamino)butan-1-ol (PubChem CID 106841617) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(pent-4-enylamino)butan-1-ol.

Molecular Properties

Compound Name4-(pent-4-enylamino)butan-1-ol
PubChem CID106841617
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(pent-4-enylamino)butan-1-ol
SMILESC=CCCCNCCCCO
InChIInChI=1S/C9H19NO/c1-2-3-4-7-10-8-5-6-9-11/h2,10-11H,1,3-9H2
InChIKeySHYVACRLDICWHN-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(pent-4-enylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pent-4-enylamino)butan-1-ol?
The IUPAC name of 4-(pent-4-enylamino)butan-1-ol (CID 106841617) is 4-(pent-4-enylamino)butan-1-ol.
What is the SMILES notation for 4-(pent-4-enylamino)butan-1-ol?
The canonical SMILES for 4-(pent-4-enylamino)butan-1-ol is C=CCCCNCCCCO.
What is the InChIKey of 4-(pent-4-enylamino)butan-1-ol?
The InChIKey is SHYVACRLDICWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-4-7-10-8-5-6-9-11/h2,10-11H,1,3-9H2.
What are the key properties of 4-(pent-4-enylamino)butan-1-ol?
4-(pent-4-enylamino)butan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pent-4-enylamino)butan-1-ol is sourced from PubChem (CID 106841617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).