4-(azepan-1-yl)undec-10-en-1-ol

C17H33NO — CID 57005435

IUPAC4-(azepan-1-yl)undec-10-en-1-ol
SMILESC=CCCCCCC(CCCO)N1CCCCCC1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-8-12-17(13-11-16-19)18-14-9-6-7-10-15-18/h2,17,19H,1,3-16H2
InChIKeyANGSWPCQTZUCSU-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds10

About 4-(azepan-1-yl)undec-10-en-1-ol

4-(azepan-1-yl)undec-10-en-1-ol (PubChem CID 57005435) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(azepan-1-yl)undec-10-en-1-ol.

Molecular Properties

Compound Name4-(azepan-1-yl)undec-10-en-1-ol
PubChem CID57005435
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-(azepan-1-yl)undec-10-en-1-ol
SMILESC=CCCCCCC(CCCO)N1CCCCCC1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-8-12-17(13-11-16-19)18-14-9-6-7-10-15-18/h2,17,19H,1,3-16H2
InChIKeyANGSWPCQTZUCSU-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
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 4-(azepan-1-yl)undec-10-en-1-ol?
The IUPAC name of 4-(azepan-1-yl)undec-10-en-1-ol (CID 57005435) is 4-(azepan-1-yl)undec-10-en-1-ol.
What is the SMILES notation for 4-(azepan-1-yl)undec-10-en-1-ol?
The canonical SMILES for 4-(azepan-1-yl)undec-10-en-1-ol is C=CCCCCCC(CCCO)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)undec-10-en-1-ol?
The InChIKey is ANGSWPCQTZUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-3-4-5-8-12-17(13-11-16-19)18-14-9-6-7-10-15-18/h2,17,19H,1,3-16H2.
What are the key properties of 4-(azepan-1-yl)undec-10-en-1-ol?
4-(azepan-1-yl)undec-10-en-1-ol has a molecular weight of 267.46 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)undec-10-en-1-ol is sourced from PubChem (CID 57005435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).