2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine

C15H21N — CID 144815807

IUPAC2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C1=C(C(C)C)C=CCC1
InChIInChI=1S/C15H21N/c1-11(2)10-16-13(5)15-9-7-6-8-14(15)12(3)4/h6,8,10,12H,1,5,7,9H2,2-4H3/b16-10+
InChIKeyCFUJISVTTSSENY-MHWRWJLKSA-N
MW215.34 g/mol
LogP4.45
Rot. Bonds4

About 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine

2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine (PubChem CID 144815807) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine
PubChem CID144815807
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C1=C(C(C)C)C=CCC1
InChIInChI=1S/C15H21N/c1-11(2)10-16-13(5)15-9-7-6-8-14(15)12(3)4/h6,8,10,12H,1,5,7,9H2,2-4H3/b16-10+
InChIKeyCFUJISVTTSSENY-MHWRWJLKSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
3,4-Diethylcyclopenta[b]pyrrole
CID 21095342
3,4-Dipropylcyclopenta[b]pyrrole
CID 21095412
3-Butan-2-ylcyclopenta[b]pyrrole
CID 21095605
3,4,5-Triethylcyclopenta[b]pyrrole
CID 21095831
2,4-Dimethylidene-5-propan-2-ylidenepyridine
CID 23532167
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
2-Methylidene-3,4-di(propan-2-yl)pyrrole
CID 60125762
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
CID 89225903
(7R)-7-methyl-6,7-dihydroquinoline
CID 89356030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine (CID 144815807) is 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine is C=C(C)/C=N/C(=C)C1=C(C(C)C)C=CCC1.
What is the InChIKey of 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine?
The InChIKey is CFUJISVTTSSENY-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)10-16-13(5)15-9-7-6-8-14(15)12(3)4/h6,8,10,12H,1,5,7,9H2,2-4H3/b16-10+.
What are the key properties of 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine?
2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine is sourced from PubChem (CID 144815807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).