3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol

C14H27NO — CID 167080852

IUPAC3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol
SMILESC/C=C\CCC1CCC(CCCO)CNC1
InChIInChI=1S/C14H27NO/c1-2-3-4-6-13-8-9-14(7-5-10-16)12-15-11-13/h2-3,13-16H,4-12H2,1H3/b3-2-
InChIKeyQWWLOJFYFNOLHI-IHWYPQMZSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds6

About 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol

3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol (PubChem CID 167080852) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol
PubChem CID167080852
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol
SMILESC/C=C\CCC1CCC(CCCO)CNC1
InChIInChI=1S/C14H27NO/c1-2-3-4-6-13-8-9-14(7-5-10-16)12-15-11-13/h2-3,13-16H,4-12H2,1H3/b3-2-
InChIKeyQWWLOJFYFNOLHI-IHWYPQMZSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol?
The IUPAC name of 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol (CID 167080852) is 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol.
What is the SMILES notation for 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol?
The canonical SMILES for 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol is C/C=C\CCC1CCC(CCCO)CNC1.
What is the InChIKey of 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol?
The InChIKey is QWWLOJFYFNOLHI-IHWYPQMZSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-6-13-8-9-14(7-5-10-16)12-15-11-13/h2-3,13-16H,4-12H2,1H3/b3-2-.
What are the key properties of 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol?
3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol is sourced from PubChem (CID 167080852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).