N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide

C18H22N2 — CID 90949376

IUPACN'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
SMILESC/N=C(\C=C1C=CC=CC1C)NC1=C(C)CC=CC=C1
InChIInChI=1S/C18H22N2/c1-14-9-7-8-11-16(14)13-18(19-3)20-17-12-6-4-5-10-15(17)2/h4-9,11-14H,10H2,1-3H3,(H,19,20)
InChIKeyWHDXVTSZBKQQJK-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.08
Rot. Bonds2

About N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide

N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide (PubChem CID 90949376) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
PubChem CID90949376
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
SMILESC/N=C(\C=C1C=CC=CC1C)NC1=C(C)CC=CC=C1
InChIInChI=1S/C18H22N2/c1-14-9-7-8-11-16(14)13-18(19-3)20-17-12-6-4-5-10-15(17)2/h4-9,11-14H,10H2,1-3H3,(H,19,20)
InChIKeyWHDXVTSZBKQQJK-UHFFFAOYSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylidenepyridin-2-amine
CID 156033214
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-5-methylidenepyridin-2-amine
CID 155584311
(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide
CID 90813969
4-ethenyl-7-[(1E,3Z)-2-(4-ethenylcyclohexa-1,5-dien-1-yl)penta-1,3-dienyl]-3H-azepin-2-amine
CID 129058528
(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 129169649
(Z)-N'-methyl-N-[N-methyl-C-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]carbonimidoyl]but-2-enimidamide
CID 132094701
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354
N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide
CID 134591853
N'-buta-1,3-dien-2-yl-N-[(E)-4-methylidenehept-2-en-2-yl]ethanimidamide
CID 139305358
N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide
CID 139484101
ethane;N-[(4Z,5E)-7-imino-2,5-dimethyl-4-propylideneocta-2,5-dien-3-yl]-N'-methylethanimidamide
CID 144004613

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The IUPAC name of N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide (CID 90949376) is N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The canonical SMILES for N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide is C/N=C(\C=C1C=CC=CC1C)NC1=C(C)CC=CC=C1.
What is the InChIKey of N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The InChIKey is WHDXVTSZBKQQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-9-7-8-11-16(14)13-18(19-3)20-17-12-6-4-5-10-15(17)2/h4-9,11-14H,10H2,1-3H3,(H,19,20).
What are the key properties of N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide?
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide has a molecular weight of 266.39 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide is sourced from PubChem (CID 90949376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).