1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine

C12H19N3 — CID 175135643

IUPAC1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)C(C)=C1C=CC=CC1
InChIInChI=1S/C12H19N3/c1-10(11-8-6-5-7-9-11)15(4)12(13-2)14-3/h5-8H,9H2,1-4H3,(H,13,14)
InChIKeyTZJVCDCSZAWUNN-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.91
Rot. Bonds1

About 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine

1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine (PubChem CID 175135643) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine.

Molecular Properties

Compound Name1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine
PubChem CID175135643
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)C(C)=C1C=CC=CC1
InChIInChI=1S/C12H19N3/c1-10(11-8-6-5-7-9-11)15(4)12(13-2)14-3/h5-8H,9H2,1-4H3,(H,13,14)
InChIKeyTZJVCDCSZAWUNN-UHFFFAOYSA-N
XLogP1.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.91
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

ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
CID 143800881
N'-methyl-N-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]methanimidamide
CID 144628429
1,2-dimethyl-3-[(2E,4Z)-5-methylhepta-2,4-dien-2-yl]guanidine
CID 166812847
1,1,2,3-Tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine
CID 174688700
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(N,N-dimethylcarbamimidoyl)-2-methylguanidine
CID 176543827
N,N,2-trimethyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 157151389
6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 157267835
6-N,4-dimethyl-6-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157424651
6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157424652
6-N,4-dimethyl-6-N-(4-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157916908
6-N,6-N,4-trimethyl-2-N-(4-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157916909
N,N,2-trimethyl-6-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 158233694

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine?
The IUPAC name of 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine (CID 175135643) is 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine.
What is the SMILES notation for 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine?
The canonical SMILES for 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine is C/N=C(\NC)N(C)C(C)=C1C=CC=CC1.
What is the InChIKey of 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine?
The InChIKey is TZJVCDCSZAWUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(11-8-6-5-7-9-11)15(4)12(13-2)14-3/h5-8H,9H2,1-4H3,(H,13,14).
What are the key properties of 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine?
1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine has a molecular weight of 205.30 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine is sourced from PubChem (CID 175135643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).