N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

C10H13N2+ — CID 135027828

IUPACN,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=c1cc[c+]c/c1=N\CN(C)C
InChIInChI=1S/C10H13N2/c1-9-6-4-5-7-10(9)11-8-12(2)3/h4,6-7H,1,8H2,2-3H3/q+1/b11-10+
InChIKeyDIOVWWNMLXNDMG-ZHACJKMWSA-N
MW161.23 g/mol
LogP0.04
Rot. Bonds2

About N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (PubChem CID 135027828) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
PubChem CID135027828
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC NameN,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=c1cc[c+]c/c1=N\CN(C)C
InChIInChI=1S/C10H13N2/c1-9-6-4-5-7-10(9)11-8-12(2)3/h4,6-7H,1,8H2,2-3H3/q+1/b11-10+
InChIKeyDIOVWWNMLXNDMG-ZHACJKMWSA-N
XLogP0.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine with MolForge

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
3-Methylquinazoline
CID 68345740
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135042691
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 18724211
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
5-methyl-2H-benzimidazole
CID 22891152
2,3-dimethyl-2H-quinazoline
CID 23503296

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The IUPAC name of N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (CID 135027828) is N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is C=c1cc[c+]c/c1=N\CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The InChIKey is DIOVWWNMLXNDMG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H13N2/c1-9-6-4-5-7-10(9)11-8-12(2)3/h4,6-7H,1,8H2,2-3H3/q+1/b11-10+.
What are the key properties of N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine has a molecular weight of 161.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 135027828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).