ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium

C12H20N3+ — CID 123841316

IUPACethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium
SMILESC=C/[N+](C)=C/N(C)C(=C)/C=C\C(C)=N\C
InChIInChI=1S/C12H20N3/c1-7-14(5)10-15(6)12(3)9-8-11(2)13-4/h7-10H,1,3H2,2,4-6H3/q+1/b9-8-,13-11+
InChIKeyYDGUYYKYCIRIBL-CWXHDNBGSA-N
MW206.31 g/mol
LogP1.89
Rot. Bonds5

About ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium

ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium (PubChem CID 123841316) has the molecular formula C12H20N3+ and a molecular weight of 206.31 g/mol. Its IUPAC name is ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium.

Molecular Properties

Compound Nameethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium
PubChem CID123841316
Molecular FormulaC12H20N3+
Molecular Weight206.31 g/mol
Exact Mass206.17
IUPAC Nameethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium
SMILESC=C/[N+](C)=C/N(C)C(=C)/C=C\C(C)=N\C
InChIInChI=1S/C12H20N3/c1-7-14(5)10-15(6)12(3)9-8-11(2)13-4/h7-10H,1,3H2,2,4-6H3/q+1/b9-8-,13-11+
InChIKeyYDGUYYKYCIRIBL-CWXHDNBGSA-N
XLogP1.89
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.89
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
N,N-dimethyl-N'-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]methanimidamide
CID 123604997
(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
(4E)-2-methyl-4-propylidenepyrido[1,2-a]pyrimidine
CID 141845019
(5Z,7Z)-3-ethyl-2,4-dimethyl-9-methylidene-4H-1,3-diazonine
CID 142875597
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethenyl-N'-methylmethanimidamide
CID 143839387
ethane;(2Z)-N'-ethenyl-N,N,4-trimethylpenta-2,4-dienimidamide
CID 145330533
(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine
CID 146532675
1-ethenyl-N-methyl-6-propan-2-ylpyridin-2-imine
CID 153553413

Frequently Asked Questions

What is the IUPAC name of ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium?
The IUPAC name of ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium (CID 123841316) is ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium.
What is the SMILES notation for ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium?
The canonical SMILES for ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium is C=C/[N+](C)=C/N(C)C(=C)/C=C\C(C)=N\C.
What is the InChIKey of ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium?
The InChIKey is YDGUYYKYCIRIBL-CWXHDNBGSA-N. The full InChI is InChI=1S/C12H20N3/c1-7-14(5)10-15(6)12(3)9-8-11(2)13-4/h7-10H,1,3H2,2,4-6H3/q+1/b9-8-,13-11+.
What are the key properties of ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium?
ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium has a molecular weight of 206.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-[[methyl-[(3Z)-5-methyliminohexa-1,3-dien-2-yl]amino]methylidene]azanium is sourced from PubChem (CID 123841316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).