2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine

C15H27N — CID 134419693

IUPAC2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine
SMILESC=C(/C=C\C)C(C)C(C)/N=C/C(C)C(C)C
InChIInChI=1S/C15H27N/c1-8-9-12(4)14(6)15(7)16-10-13(5)11(2)3/h8-11,13-15H,4H2,1-3,5-7H3/b9-8-,16-10+
InChIKeyOGWIKMZEVYHOFE-HUURBIDYSA-N
MW221.39 g/mol
LogP4.51
Rot. Bonds6

About 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine

2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine (PubChem CID 134419693) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine
PubChem CID134419693
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine
SMILESC=C(/C=C\C)C(C)C(C)/N=C/C(C)C(C)C
InChIInChI=1S/C15H27N/c1-8-9-12(4)14(6)15(7)16-10-13(5)11(2)3/h8-11,13-15H,4H2,1-3,5-7H3/b9-8-,16-10+
InChIKeyOGWIKMZEVYHOFE-HUURBIDYSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.51
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'}

Analyze 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-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 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine?
The IUPAC name of 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine (CID 134419693) is 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine.
What is the SMILES notation for 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine?
The canonical SMILES for 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine is C=C(/C=C\C)C(C)C(C)/N=C/C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine?
The InChIKey is OGWIKMZEVYHOFE-HUURBIDYSA-N. The full InChI is InChI=1S/C15H27N/c1-8-9-12(4)14(6)15(7)16-10-13(5)11(2)3/h8-11,13-15H,4H2,1-3,5-7H3/b9-8-,16-10+.
What are the key properties of 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine?
2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine is sourced from PubChem (CID 134419693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).