ethane;6-ethyl-5H-1,3-diazepine

C9H16N2 — CID 164543086

IUPACethane;6-ethyl-5H-1,3-diazepine
SMILESCC.CCC1=CN=CN=CC1
InChIInChI=1S/C7H10N2.C2H6/c1-2-7-3-4-8-6-9-5-7;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyPBHINAAZZUDILX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.81
Rot. Bonds1

About ethane;6-ethyl-5H-1,3-diazepine

ethane;6-ethyl-5H-1,3-diazepine (PubChem CID 164543086) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;6-ethyl-5H-1,3-diazepine.

Molecular Properties

Compound Nameethane;6-ethyl-5H-1,3-diazepine
PubChem CID164543086
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameethane;6-ethyl-5H-1,3-diazepine
SMILESCC.CCC1=CN=CN=CC1
InChIInChI=1S/C7H10N2.C2H6/c1-2-7-3-4-8-6-9-5-7;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyPBHINAAZZUDILX-UHFFFAOYSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-Trimethyl-6-propyl-1,3-diazepine
CID 90981818
N-(2-ethylbut-1-enyl)propan-1-imine
CID 118048893
6-methyl-5H-1,3-diazepine
CID 123768170
N-[(E)-2-methylpent-1-enyl]propan-1-imine
CID 132063366
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide
CID 134243981
2-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylidenepropanimidamide
CID 135213129
2,6-dimethyl-5H-1,3-diazepine
CID 138718213
ethane;6-methyl-4,5-dihydro-3H-azepine
CID 141842765
6-tert-butyl-5H-1,3-diazepine
CID 142225828
2,5,5,6-Tetramethyl-1,3-diazepine
CID 142240687
N-ethylidene-N'-[(E)-2-methylbut-1-enyl]methanimidamide
CID 142993068
2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide
CID 156526920

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-5H-1,3-diazepine?
The IUPAC name of ethane;6-ethyl-5H-1,3-diazepine (CID 164543086) is ethane;6-ethyl-5H-1,3-diazepine.
What is the SMILES notation for ethane;6-ethyl-5H-1,3-diazepine?
The canonical SMILES for ethane;6-ethyl-5H-1,3-diazepine is CC.CCC1=CN=CN=CC1.
What is the InChIKey of ethane;6-ethyl-5H-1,3-diazepine?
The InChIKey is PBHINAAZZUDILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-2-7-3-4-8-6-9-5-7;1-2/h4-6H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;6-ethyl-5H-1,3-diazepine?
ethane;6-ethyl-5H-1,3-diazepine has a molecular weight of 152.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-5H-1,3-diazepine is sourced from PubChem (CID 164543086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).