3-(pentylamino)pent-4-en-1-ol

C10H21NO — CID 173352499

IUPAC3-(pentylamino)pent-4-en-1-ol
SMILESC=CC(CCO)NCCCCC
InChIInChI=1S/C10H21NO/c1-3-5-6-8-11-10(4-2)7-9-12/h4,10-12H,2-3,5-9H2,1H3
InChIKeyVIOWGXKITUKQII-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds8

About 3-(pentylamino)pent-4-en-1-ol

3-(pentylamino)pent-4-en-1-ol (PubChem CID 173352499) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(pentylamino)pent-4-en-1-ol.

Molecular Properties

Compound Name3-(pentylamino)pent-4-en-1-ol
PubChem CID173352499
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(pentylamino)pent-4-en-1-ol
SMILESC=CC(CCO)NCCCCC
InChIInChI=1S/C10H21NO/c1-3-5-6-8-11-10(4-2)7-9-12/h4,10-12H,2-3,5-9H2,1H3
InChIKeyVIOWGXKITUKQII-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(pentylamino)pent-4-en-1-ol?
The IUPAC name of 3-(pentylamino)pent-4-en-1-ol (CID 173352499) is 3-(pentylamino)pent-4-en-1-ol.
What is the SMILES notation for 3-(pentylamino)pent-4-en-1-ol?
The canonical SMILES for 3-(pentylamino)pent-4-en-1-ol is C=CC(CCO)NCCCCC.
What is the InChIKey of 3-(pentylamino)pent-4-en-1-ol?
The InChIKey is VIOWGXKITUKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-8-11-10(4-2)7-9-12/h4,10-12H,2-3,5-9H2,1H3.
What are the key properties of 3-(pentylamino)pent-4-en-1-ol?
3-(pentylamino)pent-4-en-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)pent-4-en-1-ol is sourced from PubChem (CID 173352499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).