N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine

C24H37N3 — CID 123848948

IUPACN-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine
SMILESC=C/N=C1/C(=C2CCN(C)CC2)C2C=C(C)C=CC(C)C2CCCN1CC
InChIInChI=1S/C24H37N3/c1-6-25-24-23(20-12-15-26(5)16-13-20)22-17-18(3)10-11-19(4)21(22)9-8-14-27(24)7-2/h6,10-11,17,19,21-22H,1,7-9,12-16H2,2-5H3/b25-24-
InChIKeyAXJKEBVFYLGZOC-IZHYLOQSSA-N
MW367.58 g/mol
LogP5.05
Rot. Bonds2

About N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine

N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine (PubChem CID 123848948) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine.

Molecular Properties

Compound NameN-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine
PubChem CID123848948
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC NameN-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine
SMILESC=C/N=C1/C(=C2CCN(C)CC2)C2C=C(C)C=CC(C)C2CCCN1CC
InChIInChI=1S/C24H37N3/c1-6-25-24-23(20-12-15-26(5)16-13-20)22-17-18(3)10-11-19(4)21(22)9-8-14-27(24)7-2/h6,10-11,17,19,21-22H,1,7-9,12-16H2,2-5H3/b25-24-
InChIKeyAXJKEBVFYLGZOC-IZHYLOQSSA-N
XLogP5.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
CID 126516250
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991
(2E,4E,6E)-2-[(E)-but-2-en-2-yl]-6-butyl-N-ethenyl-5,9-dimethyl-1-[(2S)-2-methyl-4-propylpiperidin-1-yl]deca-2,4,6,8-tetraen-1-imine
CID 173667524

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine?
The IUPAC name of N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine (CID 123848948) is N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine.
What is the SMILES notation for N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine?
The canonical SMILES for N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine is C=C/N=C1/C(=C2CCN(C)CC2)C2C=C(C)C=CC(C)C2CCCN1CC.
What is the InChIKey of N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine?
The InChIKey is AXJKEBVFYLGZOC-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H37N3/c1-6-25-24-23(20-12-15-26(5)16-13-20)22-17-18(3)10-11-19(4)21(22)9-8-14-27(24)7-2/h6,10-11,17,19,21-22H,1,7-9,12-16H2,2-5H3/b25-24-.
What are the key properties of N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine?
N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine has a molecular weight of 367.58 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine is sourced from PubChem (CID 123848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).