N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide

C13H18N2 — CID 143839387

IUPACN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide
SMILESC=CN(/C=N/C)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C13H18N2/c1-5-15(11-14-4)12-7-6-9-13(2,3)10-8-12/h5-11H,1H2,2-4H3/b14-11+
InChIKeyWWSQYYFFDNQBIM-SDNWHVSQSA-N
MW202.30 g/mol
LogP3.13
Rot. Bonds3

About N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide

N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide (PubChem CID 143839387) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide
PubChem CID143839387
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide
SMILESC=CN(/C=N/C)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C13H18N2/c1-5-15(11-14-4)12-7-6-9-13(2,3)10-8-12/h5-11H,1H2,2-4H3/b14-11+
InChIKeyWWSQYYFFDNQBIM-SDNWHVSQSA-N
XLogP3.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
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

N'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
7-Methyl-6,7-dihydropyrimido[1,6-a]azepine
CID 117656108
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
3-Methyl-3,4-dihydropyrido[1,2-c][1,3]diazepine
CID 123552098
1-(2-methyl-2H-pyridin-1-yl)-N-pentan-2-ylmethanimine
CID 123662192
ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium
CID 123841316
3-(cyclohepta-1,3,6-trien-1-ylmethyl)-6-methyl-4H-pyrimidine
CID 135258687
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
(8E)-7-but-3-enylidene-8-ethylidene-3,6-dimethyl-4,5-dihydro-1,3,6-triazocine;ethane
CID 141790713

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide?
The IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide (CID 143839387) is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide.
What is the SMILES notation for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide?
The canonical SMILES for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide is C=CN(/C=N/C)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide?
The InChIKey is WWSQYYFFDNQBIM-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-15(11-14-4)12-7-6-9-13(2,3)10-8-12/h5-11H,1H2,2-4H3/b14-11+.
What are the key properties of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide?
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide has a molecular weight of 202.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide is sourced from PubChem (CID 143839387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).