2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine

C9H10N2 — CID 123712431

IUPAC2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine
SMILES[H]/N=C/c1ccccc/c1=N\C
InChIInChI=1S/C9H10N2/c1-11-9-6-4-2-3-5-8(9)7-10/h2-7,10H,1H3/b10-7+,11-9+
InChIKeyWTCDJHUBYYPFCB-PPZOTWNKSA-N
MW146.19 g/mol
LogP1.21
Rot. Bonds1

About 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine

2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine (PubChem CID 123712431) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine
PubChem CID123712431
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine
SMILES[H]/N=C/c1ccccc/c1=N\C
InChIInChI=1S/C9H10N2/c1-11-9-6-4-2-3-5-8(9)7-10/h2-7,10H,1H3/b10-7+,11-9+
InChIKeyWTCDJHUBYYPFCB-PPZOTWNKSA-N
XLogP1.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-1,4-Benzodiazepine
CID 21162934
4-Ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
4-Methanimidoylcyclohexa-2,4-dien-1-imine
CID 22338342
3(2H)-Quinolinimine
CID 53424822
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
7-Methylindol-6-imine
CID 69466877
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
2H-1,3-Benzodiazepine
CID 71346896
(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
CID 87310176
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine?
The IUPAC name of 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine (CID 123712431) is 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine is [H]/N=C/c1ccccc/c1=N\C.
What is the InChIKey of 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine?
The InChIKey is WTCDJHUBYYPFCB-PPZOTWNKSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-9-6-4-2-3-5-8(9)7-10/h2-7,10H,1H3/b10-7+,11-9+.
What are the key properties of 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine?
2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine has a molecular weight of 146.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 123712431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).