1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine

C20H35N — CID 123769432

IUPAC1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine
SMILESCCCC1(C)CC(C=C(C)CC/N=C(\C)C2CCC2C)C1
InChIInChI=1S/C20H35N/c1-6-10-20(5)13-18(14-20)12-15(2)9-11-21-17(4)19-8-7-16(19)3/h12,16,18-19H,6-11,13-14H2,1-5H3/b15-12?,21-17+
InChIKeyIXYPGPIFHUCTOJ-KFYHXSGKSA-N
MW289.51 g/mol
LogP6.05
Rot. Bonds7

About 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine

1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine (PubChem CID 123769432) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine.

Molecular Properties

Compound Name1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine
PubChem CID123769432
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine
SMILESCCCC1(C)CC(C=C(C)CC/N=C(\C)C2CCC2C)C1
InChIInChI=1S/C20H35N/c1-6-10-20(5)13-18(14-20)12-15(2)9-11-21-17(4)19-8-7-16(19)3/h12,16,18-19H,6-11,13-14H2,1-5H3/b15-12?,21-17+
InChIKeyIXYPGPIFHUCTOJ-KFYHXSGKSA-N
XLogP6.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.05
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'}

Analyze 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine 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

(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine
CID 123271312
1-cyclobutyl-4-cyclobutylidene-N,5-diethyl-10-(1-methyl-2-propan-2-ylidenecyclopropyl)decan-1-imine
CID 123487548
(2E)-5-cyclobutyl-N,7-dimethyl-2-(3-propylcyclobutyl)nona-2,5-dien-4-imine
CID 123809633
(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine
CID 129066551
N-[7-(1,3-dimethylcyclohex-3-en-1-yl)-4-propyloctyl]propan-2-imine
CID 139403765
N-[5-(cyclobuten-1-ylmethyl)-2,3,4-trimethylheptyl]butan-2-imine
CID 155149090
1-[(6S)-5-but-1-en-2-yl-6-methyl-2-bicyclo[3.1.1]hept-3-enyl]-N-ethylethanimine
CID 167170093
3-[3-[1-[(2R)-2-methylbutyl]-3-tricyclo[2.2.0.02,5]hex-2-enyl]prop-1-en-2-yl]-2H-azirine
CID 173987426
N-ethyl-3,5-dimethyl-7-[2-(2-methylcyclobutyl)cyclobutyl]dec-5-en-4-imine
CID 174326854

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine?
The IUPAC name of 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine (CID 123769432) is 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine.
What is the SMILES notation for 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine?
The canonical SMILES for 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine is CCCC1(C)CC(C=C(C)CC/N=C(\C)C2CCC2C)C1.
What is the InChIKey of 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine?
The InChIKey is IXYPGPIFHUCTOJ-KFYHXSGKSA-N. The full InChI is InChI=1S/C20H35N/c1-6-10-20(5)13-18(14-20)12-15(2)9-11-21-17(4)19-8-7-16(19)3/h12,16,18-19H,6-11,13-14H2,1-5H3/b15-12?,21-17+.
What are the key properties of 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine?
1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine has a molecular weight of 289.51 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine is sourced from PubChem (CID 123769432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).