5-(butylamino)pent-1-en-1-ol

C9H19NO — CID 126497697

IUPAC5-(butylamino)pent-1-en-1-ol
SMILESCCCCNCCCC=CO
InChIInChI=1S/C9H19NO/c1-2-3-7-10-8-5-4-6-9-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyHBVHPCJDLLWZKR-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.23
Rot. Bonds7

About 5-(butylamino)pent-1-en-1-ol

5-(butylamino)pent-1-en-1-ol (PubChem CID 126497697) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(butylamino)pent-1-en-1-ol.

Molecular Properties

Compound Name5-(butylamino)pent-1-en-1-ol
PubChem CID126497697
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(butylamino)pent-1-en-1-ol
SMILESCCCCNCCCC=CO
InChIInChI=1S/C9H19NO/c1-2-3-7-10-8-5-4-6-9-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyHBVHPCJDLLWZKR-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)pent-1-en-1-ol?
The IUPAC name of 5-(butylamino)pent-1-en-1-ol (CID 126497697) is 5-(butylamino)pent-1-en-1-ol.
What is the SMILES notation for 5-(butylamino)pent-1-en-1-ol?
The canonical SMILES for 5-(butylamino)pent-1-en-1-ol is CCCCNCCCC=CO.
What is the InChIKey of 5-(butylamino)pent-1-en-1-ol?
The InChIKey is HBVHPCJDLLWZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-7-10-8-5-4-6-9-11/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 5-(butylamino)pent-1-en-1-ol?
5-(butylamino)pent-1-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)pent-1-en-1-ol is sourced from PubChem (CID 126497697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).