ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine

C14H23N — CID 166147130

IUPACethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=C\C1=C(\C)C(C)C.CC
InChIInChI=1S/C12H17N.C2H6/c1-9(2)10(3)11-7-5-6-8-12(11)13-4;1-2/h5-9H,1-4H3;1-2H3/b11-10+,13-12+;
InChIKeyFJMDYIDOFMVHNN-QPCVRLCISA-N
MW205.34 g/mol
LogP4.18
Rot. Bonds1

About ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine

ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 166147130) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine
PubChem CID166147130
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=C\C1=C(\C)C(C)C.CC
InChIInChI=1S/C12H17N.C2H6/c1-9(2)10(3)11-7-5-6-8-12(11)13-4;1-2/h5-9H,1-4H3;1-2H3/b11-10+,13-12+;
InChIKeyFJMDYIDOFMVHNN-QPCVRLCISA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.18
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

4-Methyl-2,3-dihydroquinoline
CID 68274032
Trimethyl 2h indol
CID 101318478
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
1,2,2,3-tetramethyl-3H-quinolin-1-ium
CID 139243633
(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
CID 162585419
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442

Frequently Asked Questions

What is the IUPAC name of ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine (CID 166147130) is ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine is C/N=C1\C=CC=C\C1=C(\C)C(C)C.CC.
What is the InChIKey of ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is FJMDYIDOFMVHNN-QPCVRLCISA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-9(2)10(3)11-7-5-6-8-12(11)13-4;1-2/h5-9H,1-4H3;1-2H3/b11-10+,13-12+;.
What are the key properties of ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine?
ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 166147130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).