9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine

C12H18N2 — CID 123923845

IUPAC9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
SMILESC=CC1C=CC(C)=CC/N=C(\C)NC1
InChIInChI=1S/C12H18N2/c1-4-12-6-5-10(2)7-8-13-11(3)14-9-12/h4-7,12H,1,8-9H2,2-3H3,(H,13,14)
InChIKeyAOPUDKOURWQEEK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.31
Rot. Bonds1

About 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine

9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine (PubChem CID 123923845) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine.

Molecular Properties

Compound Name9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
PubChem CID123923845
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
SMILESC=CC1C=CC(C)=CC/N=C(\C)NC1
InChIInChI=1S/C12H18N2/c1-4-12-6-5-10(2)7-8-13-11(3)14-9-12/h4-7,12H,1,8-9H2,2-3H3,(H,13,14)
InChIKeyAOPUDKOURWQEEK-UHFFFAOYSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 118186576
4-Chloro-2-hexa-2,4-dien-3-yl-5,6-dimethyl-1,2-dihydro-1,3,5-triazin-5-ium
CID 123349781
N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide
CID 130348654
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 143002404
N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide
CID 143258576
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane
CID 143421164
ethanamine;(Z)-N-ethyl-N'-methylpent-2-enimidamide
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(Z)-N-ethyl-N'-methylpent-2-enimidamide
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Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine?
The IUPAC name of 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine (CID 123923845) is 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine.
What is the SMILES notation for 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine?
The canonical SMILES for 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine is C=CC1C=CC(C)=CC/N=C(\C)NC1.
What is the InChIKey of 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine?
The InChIKey is AOPUDKOURWQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-12-6-5-10(2)7-8-13-11(3)14-9-12/h4-7,12H,1,8-9H2,2-3H3,(H,13,14).
What are the key properties of 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine?
9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine has a molecular weight of 190.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine is sourced from PubChem (CID 123923845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).