1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine

C16H23N — CID 143504662

IUPAC1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine
SMILESC=CC1(/N=C(\CC)C2=CC=CC2)CCCCC1
InChIInChI=1S/C16H23N/c1-3-15(14-10-6-7-11-14)17-16(4-2)12-8-5-9-13-16/h4,6-7,10H,2-3,5,8-9,11-13H2,1H3/b17-15+
InChIKeyFIBRYZPKDRHKPM-BMRADRMJSA-N
MW229.37 g/mol
LogP4.61
Rot. Bonds4

About 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine

1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine (PubChem CID 143504662) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine
PubChem CID143504662
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine
SMILESC=CC1(/N=C(\CC)C2=CC=CC2)CCCCC1
InChIInChI=1S/C16H23N/c1-3-15(14-10-6-7-11-14)17-16(4-2)12-8-5-9-13-16/h4,6-7,10H,2-3,5,8-9,11-13H2,1H3/b17-15+
InChIKeyFIBRYZPKDRHKPM-BMRADRMJSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine (CID 143504662) is 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine is C=CC1(/N=C(\CC)C2=CC=CC2)CCCCC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine?
The InChIKey is FIBRYZPKDRHKPM-BMRADRMJSA-N. The full InChI is InChI=1S/C16H23N/c1-3-15(14-10-6-7-11-14)17-16(4-2)12-8-5-9-13-16/h4,6-7,10H,2-3,5,8-9,11-13H2,1H3/b17-15+.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine?
1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-N-(1-ethenylcyclohexyl)propan-1-imine is sourced from PubChem (CID 143504662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).