2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine

C17H21N — CID 123894399

IUPAC2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(C(=C)C)=c1ccccc1=C(C)C
InChIInChI=1S/C17H21N/c1-12(2)11-18-17(14(5)6)16-10-8-7-9-15(16)13(3)4/h7-11H,1,5H2,2-4,6H3/b17-16?,18-11+
InChIKeyDIXJRSNOHXBHAK-QAHSWBIDSA-N
MW239.36 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine

2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine (PubChem CID 123894399) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine
PubChem CID123894399
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(C(=C)C)=c1ccccc1=C(C)C
InChIInChI=1S/C17H21N/c1-12(2)11-18-17(14(5)6)16-10-8-7-9-15(16)13(3)4/h7-11H,1,5H2,2-4,6H3/b17-16?,18-11+
InChIKeyDIXJRSNOHXBHAK-QAHSWBIDSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine (CID 123894399) is 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine is C=C(C)/C=N/C(C(=C)C)=c1ccccc1=C(C)C.
What is the InChIKey of 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine?
The InChIKey is DIXJRSNOHXBHAK-QAHSWBIDSA-N. The full InChI is InChI=1S/C17H21N/c1-12(2)11-18-17(14(5)6)16-10-8-7-9-15(16)13(3)4/h7-11H,1,5H2,2-4,6H3/b17-16?,18-11+.
What are the key properties of 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine?
2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine has a molecular weight of 239.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine is sourced from PubChem (CID 123894399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).