2,4-dimethyl-4H-1,3-diazepine;ethane

C9H16N2 — CID 176556944

IUPAC2,4-dimethyl-4H-1,3-diazepine;ethane
SMILESCC.CC1=NC(C)C=CC=N1
InChIInChI=1S/C7H10N2.C2H6/c1-6-4-3-5-8-7(2)9-6;1-2/h3-6H,1-2H3;1-2H3
InChIKeyIRMYPPIFVCKVHD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.46
Rot. Bonds

About 2,4-dimethyl-4H-1,3-diazepine;ethane

2,4-dimethyl-4H-1,3-diazepine;ethane (PubChem CID 176556944) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,4-dimethyl-4H-1,3-diazepine;ethane.

Molecular Properties

Compound Name2,4-dimethyl-4H-1,3-diazepine;ethane
PubChem CID176556944
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,4-dimethyl-4H-1,3-diazepine;ethane
SMILESCC.CC1=NC(C)C=CC=N1
InChIInChI=1S/C7H10N2.C2H6/c1-6-4-3-5-8-7(2)9-6;1-2/h3-6H,1-2H3;1-2H3
InChIKeyIRMYPPIFVCKVHD-UHFFFAOYSA-N
XLogP2.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-4H-1,3-diazepine
CID 68092516
2,7-dimethyl-4H-1,3-diazepine
CID 68207872
(E)-N-[(Z)-hex-3-en-2-yl]but-2-en-1-imine
CID 121328491
N-propyl-3,4-dihydroazepin-2-imine
CID 123326575
(3E,6Z)-N-propyl-5H-azocin-2-imine
CID 123511104
(Z)-N'-ethyl-4-methyl-N-methylidenepent-2-enimidamide
CID 123530774
4,4-Dimethyl-1,3-diazepine
CID 134399062
ethane;N'-[(E)-hex-3-en-2-yl]ethanimidamide
CID 141872709
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
4,5-dimethyl-4H-1,3-diazepine
CID 142088261
2,4-dimethyl-4H-1,3-diazepine
CID 142144595
2,4,6-trimethyl-4H-1,3-diazepine
CID 142223515

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-1,3-diazepine;ethane?
The IUPAC name of 2,4-dimethyl-4H-1,3-diazepine;ethane (CID 176556944) is 2,4-dimethyl-4H-1,3-diazepine;ethane.
What is the SMILES notation for 2,4-dimethyl-4H-1,3-diazepine;ethane?
The canonical SMILES for 2,4-dimethyl-4H-1,3-diazepine;ethane is CC.CC1=NC(C)C=CC=N1.
What is the InChIKey of 2,4-dimethyl-4H-1,3-diazepine;ethane?
The InChIKey is IRMYPPIFVCKVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-6-4-3-5-8-7(2)9-6;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-4H-1,3-diazepine;ethane?
2,4-dimethyl-4H-1,3-diazepine;ethane has a molecular weight of 152.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4H-1,3-diazepine;ethane is sourced from PubChem (CID 176556944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).