10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine

C12H21N — CID 154933342

IUPAC10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine
SMILESC/C=C/C1=N\CCCCCCCC1
InChIInChI=1S/C12H21N/c1-2-9-12-10-7-5-3-4-6-8-11-13-12/h2,9H,3-8,10-11H2,1H3/b9-2+,13-12+
InChIKeyLPUCKKADIGUUTA-AYESLQLHSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds1

About 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine

10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine (PubChem CID 154933342) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine.

Molecular Properties

Compound Name10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine
PubChem CID154933342
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine
SMILESC/C=C/C1=N\CCCCCCCC1
InChIInChI=1S/C12H21N/c1-2-9-12-10-7-5-3-4-6-8-11-13-12/h2,9H,3-8,10-11H2,1H3/b9-2+,13-12+
InChIKeyLPUCKKADIGUUTA-AYESLQLHSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine?
The IUPAC name of 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine (CID 154933342) is 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine.
What is the SMILES notation for 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine?
The canonical SMILES for 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine is C/C=C/C1=N\CCCCCCCC1.
What is the InChIKey of 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine?
The InChIKey is LPUCKKADIGUUTA-AYESLQLHSA-N. The full InChI is InChI=1S/C12H21N/c1-2-9-12-10-7-5-3-4-6-8-11-13-12/h2,9H,3-8,10-11H2,1H3/b9-2+,13-12+.
What are the key properties of 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine?
10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine has a molecular weight of 179.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine is sourced from PubChem (CID 154933342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).