3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine

C19H34N2 — CID 170850135

IUPAC3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine
SMILESC/C(=N\CC1CC2CCC1(C/N=C(\C)C(C)C)C2)C(C)C
InChIInChI=1S/C19H34N2/c1-13(2)15(5)20-11-18-9-17-7-8-19(18,10-17)12-21-16(6)14(3)4/h13-14,17-18H,7-12H2,1-6H3/b20-15+,21-16+
InChIKeyILPVZEDOLZHPSH-YJKAXRSRSA-N
MW290.50 g/mol
LogP5.03
Rot. Bonds6

About 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine

3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine (PubChem CID 170850135) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine
PubChem CID170850135
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine
SMILESC/C(=N\CC1CC2CCC1(C/N=C(\C)C(C)C)C2)C(C)C
InChIInChI=1S/C19H34N2/c1-13(2)15(5)20-11-18-9-17-7-8-19(18,10-17)12-21-16(6)14(3)4/h13-14,17-18H,7-12H2,1-6H3/b20-15+,21-16+
InChIKeyILPVZEDOLZHPSH-YJKAXRSRSA-N
XLogP5.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine?
The IUPAC name of 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine (CID 170850135) is 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine is C/C(=N\CC1CC2CCC1(C/N=C(\C)C(C)C)C2)C(C)C.
What is the InChIKey of 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine?
The InChIKey is ILPVZEDOLZHPSH-YJKAXRSRSA-N. The full InChI is InChI=1S/C19H34N2/c1-13(2)15(5)20-11-18-9-17-7-8-19(18,10-17)12-21-16(6)14(3)4/h13-14,17-18H,7-12H2,1-6H3/b20-15+,21-16+.
What are the key properties of 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine?
3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine has a molecular weight of 290.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[(3-methylbutan-2-ylideneamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]butan-2-imine is sourced from PubChem (CID 170850135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).