7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine

C13H18N2 — CID 164902459

IUPAC7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine
SMILESCCC1=NC(C2=CCCCC2)=CCC=N1
InChIInChI=1S/C13H18N2/c1-2-13-14-10-6-9-12(15-13)11-7-4-3-5-8-11/h7,9-10H,2-6,8H2,1H3
InChIKeyDCPIDZSFVSLGSM-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.65
Rot. Bonds2

About 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine

7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine (PubChem CID 164902459) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine.

Molecular Properties

Compound Name7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine
PubChem CID164902459
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine
SMILESCCC1=NC(C2=CCCCC2)=CCC=N1
InChIInChI=1S/C13H18N2/c1-2-13-14-10-6-9-12(15-13)11-7-4-3-5-8-11/h7,9-10H,2-6,8H2,1H3
InChIKeyDCPIDZSFVSLGSM-UHFFFAOYSA-N
XLogP3.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123783644
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CID 126516227
(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
CID 126516413
2,4-Diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8-pentaene
CID 141055021
(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine
CID 142388191
ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine
CID 143256515
ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
CID 143256801
(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 144535800
ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 144594578
ethane;7-ethyl-6H-cyclohepta[d]pyrimidine
CID 145141500
ethane;7-ethyl-6H-cyclohepta[d]pyrimidine
CID 145141534
4-Ethyl-8,8-dimethylcyclohepta[d]pyrimidine
CID 156710805

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine?
The IUPAC name of 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine (CID 164902459) is 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine.
What is the SMILES notation for 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine?
The canonical SMILES for 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine is CCC1=NC(C2=CCCCC2)=CCC=N1.
What is the InChIKey of 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine?
The InChIKey is DCPIDZSFVSLGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-13-14-10-6-9-12(15-13)11-7-4-3-5-8-11/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine?
7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine has a molecular weight of 202.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine is sourced from PubChem (CID 164902459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).