ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide

C12H22N2 — CID 143713153

IUPACethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide
SMILESC=C.C=CC=CC(C)/C(=N/C)NCC
InChIInChI=1S/C10H18N2.C2H4/c1-5-7-8-9(3)10(11-4)12-6-2;1-2/h5,7-9H,1,6H2,2-4H3,(H,11,12);1-2H2
InChIKeyLZPNWOOWEUYWKN-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds4

About ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide

ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide (PubChem CID 143713153) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide.

Molecular Properties

Compound Nameethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide
PubChem CID143713153
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide
SMILESC=C.C=CC=CC(C)/C(=N/C)NCC
InChIInChI=1S/C10H18N2.C2H4/c1-5-7-8-9(3)10(11-4)12-6-2;1-2/h5,7-9H,1,6H2,2-4H3,(H,11,12);1-2H2
InChIKeyLZPNWOOWEUYWKN-UHFFFAOYSA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
2-pent-2-enyl-4,5-dihydro-1H-imidazole
CID 90193128
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
CID 122600421
2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine
CID 123557804
9-Ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
CID 123923845
(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide
CID 123967106

Frequently Asked Questions

What is the IUPAC name of ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide?
The IUPAC name of ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide (CID 143713153) is ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide.
What is the SMILES notation for ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide?
The canonical SMILES for ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide is C=C.C=CC=CC(C)/C(=N/C)NCC.
What is the InChIKey of ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide?
The InChIKey is LZPNWOOWEUYWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C2H4/c1-5-7-8-9(3)10(11-4)12-6-2;1-2/h5,7-9H,1,6H2,2-4H3,(H,11,12);1-2H2.
What are the key properties of ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide?
ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide has a molecular weight of 194.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide is sourced from PubChem (CID 143713153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).