3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine

C15H21N — CID 123904964

IUPAC3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine
SMILESC=CC(C)=C/C=N/C1=C(C)C2C(C1)C2(C)C
InChIInChI=1S/C15H21N/c1-6-10(2)7-8-16-13-9-12-14(11(13)3)15(12,4)5/h6-8,12,14H,1,9H2,2-5H3/b10-7?,16-8+
InChIKeyCZJBDARJQVYCHZ-OOSLVLPHSA-N
MW215.34 g/mol
LogP4.14
Rot. Bonds3

About 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine

3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine (PubChem CID 123904964) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine
PubChem CID123904964
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine
SMILESC=CC(C)=C/C=N/C1=C(C)C2C(C1)C2(C)C
InChIInChI=1S/C15H21N/c1-6-10(2)7-8-16-13-9-12-14(11(13)3)15(12,4)5/h6-8,12,14H,1,9H2,2-5H3/b10-7?,16-8+
InChIKeyCZJBDARJQVYCHZ-OOSLVLPHSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine?
The IUPAC name of 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine (CID 123904964) is 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine.
What is the SMILES notation for 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine?
The canonical SMILES for 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine is C=CC(C)=C/C=N/C1=C(C)C2C(C1)C2(C)C.
What is the InChIKey of 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine?
The InChIKey is CZJBDARJQVYCHZ-OOSLVLPHSA-N. The full InChI is InChI=1S/C15H21N/c1-6-10(2)7-8-16-13-9-12-14(11(13)3)15(12,4)5/h6-8,12,14H,1,9H2,2-5H3/b10-7?,16-8+.
What are the key properties of 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine?
3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 123904964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).