5-methyl-2-propan-2-yl-5H-1,3-diazepine

C9H14N2 — CID 146520502

IUPAC5-methyl-2-propan-2-yl-5H-1,3-diazepine
SMILESCC1C=CN=C(C(C)C)N=C1
InChIInChI=1S/C9H14N2/c1-7(2)9-10-5-4-8(3)6-11-9/h4-8H,1-3H3
InChIKeyCYZROCQMBYNOQS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.28
Rot. Bonds1

About 5-methyl-2-propan-2-yl-5H-1,3-diazepine

5-methyl-2-propan-2-yl-5H-1,3-diazepine (PubChem CID 146520502) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-5H-1,3-diazepine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-5H-1,3-diazepine
PubChem CID146520502
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-methyl-2-propan-2-yl-5H-1,3-diazepine
SMILESCC1C=CN=C(C(C)C)N=C1
InChIInChI=1S/C9H14N2/c1-7(2)9-10-5-4-8(3)6-11-9/h4-8H,1-3H3
InChIKeyCYZROCQMBYNOQS-UHFFFAOYSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-propan-2-yl-5H-1,3-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

2,5-Dimethyl-5-(trifluoromethyl)-1,3-diazepine
CID 142253947
N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide
CID 88996354
5,5-Dimethyl-1,3-diazepine
CID 89049693
N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 123166867
N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 123225473
5H-1,3-diazepine
CID 123312103
2,5,5-Trimethyl-1,3-diazepine
CID 123614796
2-methyl-5H-1,3-diazepine
CID 123843433
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide
CID 126593692
N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide
CID 126598646
2-Propan-2-yl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126626429

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-5H-1,3-diazepine?
The IUPAC name of 5-methyl-2-propan-2-yl-5H-1,3-diazepine (CID 146520502) is 5-methyl-2-propan-2-yl-5H-1,3-diazepine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-5H-1,3-diazepine?
The canonical SMILES for 5-methyl-2-propan-2-yl-5H-1,3-diazepine is CC1C=CN=C(C(C)C)N=C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-5H-1,3-diazepine?
The InChIKey is CYZROCQMBYNOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-10-5-4-8(3)6-11-9/h4-8H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-5H-1,3-diazepine?
5-methyl-2-propan-2-yl-5H-1,3-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-5H-1,3-diazepine is sourced from PubChem (CID 146520502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).