ethane;6-methyl-6H-1,4-diazepine

C8H14N2 — CID 144897438

IUPACethane;6-methyl-6H-1,4-diazepine
SMILESCC.CC1C=NC=CN=C1
InChIInChI=1S/C6H8N2.C2H6/c1-6-4-7-2-3-8-5-6;1-2/h2-6H,1H3;1-2H3
InChIKeyGNTWKDSLLCAWIG-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds

About ethane;6-methyl-6H-1,4-diazepine

ethane;6-methyl-6H-1,4-diazepine (PubChem CID 144897438) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is ethane;6-methyl-6H-1,4-diazepine.

Molecular Properties

Compound Nameethane;6-methyl-6H-1,4-diazepine
PubChem CID144897438
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Nameethane;6-methyl-6H-1,4-diazepine
SMILESCC.CC1C=NC=CN=C1
InChIInChI=1S/C6H8N2.C2H6/c1-6-4-7-2-3-8-5-6;1-2/h2-6H,1H3;1-2H3
InChIKeyGNTWKDSLLCAWIG-UHFFFAOYSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z)-2-fluoroethenyl]-2-methylpropan-1-imine
CID 123799687
N-ethenyl-2-methylpropan-1-imine
CID 14792733
N-ethenyl-3-methylbutan-1-imine
CID 14792734
6-propan-2-yl-6H-1,4-diazepine
CID 89595394
6,6-Dimethyl-1,4-diazepine
CID 91456186
N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
CID 122667549
2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine
CID 123916576
6-tert-butyl-6H-1,4-diazepine
CID 124192212
6-Methyl-6-propan-2-yl-1,4-diazepine
CID 126688078
N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide
CID 129239004
1-N,2-N-bis(ethenyl)butane-1,2-diimine
CID 130434064
2-methyl-N,N'-bis[(Z)-prop-1-enyl]propane-1,3-diimine
CID 131966571

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-6H-1,4-diazepine?
The IUPAC name of ethane;6-methyl-6H-1,4-diazepine (CID 144897438) is ethane;6-methyl-6H-1,4-diazepine.
What is the SMILES notation for ethane;6-methyl-6H-1,4-diazepine?
The canonical SMILES for ethane;6-methyl-6H-1,4-diazepine is CC.CC1C=NC=CN=C1.
What is the InChIKey of ethane;6-methyl-6H-1,4-diazepine?
The InChIKey is GNTWKDSLLCAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H6/c1-6-4-7-2-3-8-5-6;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;6-methyl-6H-1,4-diazepine?
ethane;6-methyl-6H-1,4-diazepine has a molecular weight of 138.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-6H-1,4-diazepine is sourced from PubChem (CID 144897438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).