5,6-di(propan-2-yl)-2H-1,4-diazepine

C11H18N2 — CID 58763146

IUPAC5,6-di(propan-2-yl)-2H-1,4-diazepine
SMILESCC(C)C1=C(C(C)C)N=CCN=C1
InChIInChI=1S/C11H18N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h6-9H,5H2,1-4H3
InChIKeyMBUIDMHMOCKWTC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.71
Rot. Bonds2

About 5,6-di(propan-2-yl)-2H-1,4-diazepine

5,6-di(propan-2-yl)-2H-1,4-diazepine (PubChem CID 58763146) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-2H-1,4-diazepine.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-2H-1,4-diazepine
PubChem CID58763146
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5,6-di(propan-2-yl)-2H-1,4-diazepine
SMILESCC(C)C1=C(C(C)C)N=CCN=C1
InChIInChI=1S/C11H18N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h6-9H,5H2,1-4H3
InChIKeyMBUIDMHMOCKWTC-UHFFFAOYSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-di(propan-2-yl)-2H-1,4-diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-di(propan-2-yl)-3H-pyrrole
CID 22891059
4-methyl-5-propan-2-yl-3H-pyrrole
CID 58574277
6,7-di(propan-2-yl)-3H-1,2,4-triazepine
CID 58763056
6,7-di(propan-2-yl)-3H-1,2,5-triazepine
CID 58763062
4,5-Di(propan-2-yl)-1,2,6-thiadiazepine
CID 58763208
(Z)-5-methyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 88579646
(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 89002637
5,6,7-trimethyl-5H-1,3-diazepine
CID 89277930
(Z)-N-(3-methylbut-2-en-2-yl)-2-propan-2-ylbut-2-en-1-imine
CID 90926049
2-ethyl-4-methyl-6-propan-2-yl-4H-azepine
CID 91195941
N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
CID 123292891
N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine
CID 123384655

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-2H-1,4-diazepine?
The IUPAC name of 5,6-di(propan-2-yl)-2H-1,4-diazepine (CID 58763146) is 5,6-di(propan-2-yl)-2H-1,4-diazepine.
What is the SMILES notation for 5,6-di(propan-2-yl)-2H-1,4-diazepine?
The canonical SMILES for 5,6-di(propan-2-yl)-2H-1,4-diazepine is CC(C)C1=C(C(C)C)N=CCN=C1.
What is the InChIKey of 5,6-di(propan-2-yl)-2H-1,4-diazepine?
The InChIKey is MBUIDMHMOCKWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-2H-1,4-diazepine?
5,6-di(propan-2-yl)-2H-1,4-diazepine has a molecular weight of 178.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-2H-1,4-diazepine is sourced from PubChem (CID 58763146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).