5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine

C11H20N2 — CID 90893148

IUPAC5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine
SMILESCCN1CCC=C(C)/C=N/CCC1
InChIInChI=1S/C11H20N2/c1-3-13-8-4-6-11(2)10-12-7-5-9-13/h6,10H,3-5,7-9H2,1-2H3/b11-6?,12-10+
InChIKeyGBUBNGRXZATVAN-YMNKRAHHSA-N
MW180.29 g/mol
LogP2.12
Rot. Bonds1

About 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine

5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine (PubChem CID 90893148) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine.

Molecular Properties

Compound Name5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine
PubChem CID90893148
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine
SMILESCCN1CCC=C(C)/C=N/CCC1
InChIInChI=1S/C11H20N2/c1-3-13-8-4-6-11(2)10-12-7-5-9-13/h6,10H,3-5,7-9H2,1-2H3/b11-6?,12-10+
InChIKeyGBUBNGRXZATVAN-YMNKRAHHSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54544812
1-(2,3-dihydropyridin-5-yl)-N,N-dimethylmethanamine
CID 68216038
2-(2,3-dihydropyridin-5-yl)-N,N-dimethylethanamine
CID 142206786
(E)-5-ethylimino-N,N,3-trimethylpent-3-en-1-amine
CID 143147868
ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine
CID 144628619
N-ethyl-2-methyl-N-[2-(2H-pyrrol-4-yl)ethyl]propan-1-amine
CID 160761937
ethyl-[(Z)-2-methylidenepent-3-enylidene]-propylazanium
CID 169901157
N-methyl-1-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 169924310
1-[[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine
CID 173540167
1-Ethyl-5-methyl-2,3-dihydropyridin-1-ium
CID 11052934
1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine
CID 90166388
3-(cyclopenta-1,3-dien-1-ylmethylideneamino)-N,N-dimethylpropan-1-amine
CID 101209812

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine?
The IUPAC name of 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine (CID 90893148) is 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine.
What is the SMILES notation for 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine?
The canonical SMILES for 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine is CCN1CCC=C(C)/C=N/CCC1.
What is the InChIKey of 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine?
The InChIKey is GBUBNGRXZATVAN-YMNKRAHHSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-13-8-4-6-11(2)10-12-7-5-9-13/h6,10H,3-5,7-9H2,1-2H3/b11-6?,12-10+.
What are the key properties of 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine?
5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine has a molecular weight of 180.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-methyl-3,4,6,7-tetrahydro-2H-1,5-diazecine is sourced from PubChem (CID 90893148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).