5-(hept-6-enylamino)pentan-1-ol

C12H25NO — CID 107317277

IUPAC5-(hept-6-enylamino)pentan-1-ol
SMILESC=CCCCCCNCCCCCO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-7-10-13-11-8-6-9-12-14/h2,13-14H,1,3-12H2
InChIKeyVTPHLFHFJINKGE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.48
Rot. Bonds11

About 5-(hept-6-enylamino)pentan-1-ol

5-(hept-6-enylamino)pentan-1-ol (PubChem CID 107317277) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(hept-6-enylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(hept-6-enylamino)pentan-1-ol
PubChem CID107317277
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(hept-6-enylamino)pentan-1-ol
SMILESC=CCCCCCNCCCCCO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-7-10-13-11-8-6-9-12-14/h2,13-14H,1,3-12H2
InChIKeyVTPHLFHFJINKGE-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.48
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 5-(hept-6-enylamino)pentan-1-ol?
The IUPAC name of 5-(hept-6-enylamino)pentan-1-ol (CID 107317277) is 5-(hept-6-enylamino)pentan-1-ol.
What is the SMILES notation for 5-(hept-6-enylamino)pentan-1-ol?
The canonical SMILES for 5-(hept-6-enylamino)pentan-1-ol is C=CCCCCCNCCCCCO.
What is the InChIKey of 5-(hept-6-enylamino)pentan-1-ol?
The InChIKey is VTPHLFHFJINKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-7-10-13-11-8-6-9-12-14/h2,13-14H,1,3-12H2.
What are the key properties of 5-(hept-6-enylamino)pentan-1-ol?
5-(hept-6-enylamino)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.48, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hept-6-enylamino)pentan-1-ol is sourced from PubChem (CID 107317277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).