5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane

C12H20N2 — CID 143421164

IUPAC5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane
SMILESC=CC1=C(C=C)CNC(C)=NC1.CC
InChIInChI=1S/C10H14N2.C2H6/c1-4-9-6-11-8(3)12-7-10(9)5-2;1-2/h4-5H,1-2,6-7H2,3H3,(H,11,12);1-2H3
InChIKeyPWZSKFHPNDJYLJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds2

About 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane

5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane (PubChem CID 143421164) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane
PubChem CID143421164
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane
SMILESC=CC1=C(C=C)CNC(C)=NC1.CC
InChIInChI=1S/C10H14N2.C2H6/c1-4-9-6-11-8(3)12-7-10(9)5-2;1-2/h4-5H,1-2,6-7H2,3H3,(H,11,12);1-2H3
InChIKeyPWZSKFHPNDJYLJ-UHFFFAOYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
9-Ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
CID 123923845
ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene
CID 142843948
(2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine
CID 143645120
(2Z)-N',4-dimethyl-N-propylpenta-2,4-dienimidamide
CID 143692357
N,6-diethyl-2H-azepin-7-amine;ethene
CID 143712976
ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide
CID 143713153
2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole
CID 143769866
(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane
CID 144655472
N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide
CID 167266192
ethane;(E)-2-ethenyl-N-ethyl-N',3,4-trimethylpent-2-enimidamide;molecular hydrogen
CID 170732032
N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide
CID 174366216

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane?
The IUPAC name of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane (CID 143421164) is 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane is C=CC1=C(C=C)CNC(C)=NC1.CC.
What is the InChIKey of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane?
The InChIKey is PWZSKFHPNDJYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-4-9-6-11-8(3)12-7-10(9)5-2;1-2/h4-5H,1-2,6-7H2,3H3,(H,11,12);1-2H3.
What are the key properties of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane?
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane has a molecular weight of 192.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane is sourced from PubChem (CID 143421164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).