4-methyl-6-propan-2-yl-4H-1,3-diazepine

C9H14N2 — CID 129200463

IUPAC4-methyl-6-propan-2-yl-4H-1,3-diazepine
SMILESCC1C=C(C(C)C)C=NC=N1
InChIInChI=1S/C9H14N2/c1-7(2)9-4-8(3)11-6-10-5-9/h4-8H,1-3H3
InChIKeyFJGVHPPXFGYUDO-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.07
Rot. Bonds1

About 4-methyl-6-propan-2-yl-4H-1,3-diazepine

4-methyl-6-propan-2-yl-4H-1,3-diazepine (PubChem CID 129200463) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-4H-1,3-diazepine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-4H-1,3-diazepine
PubChem CID129200463
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-methyl-6-propan-2-yl-4H-1,3-diazepine
SMILESCC1C=C(C(C)C)C=NC=N1
InChIInChI=1S/C9H14N2/c1-7(2)9-4-8(3)11-6-10-5-9/h4-8H,1-3H3
InChIKeyFJGVHPPXFGYUDO-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-4-methyl-6-propan-2-yl-1,3-diazepine
CID 144503649
N',3-dimethyl-N-methylidene-2,3-dihydropyridine-5-carboximidamide
CID 68309209
4-but-2-enyl-5-methylidene-4H-pyrimidine
CID 123267022
2,3,6-trimethyl-5,6-dihydro-2H-azepine
CID 123298078
5-but-2-enylidene-4-methyl-4H-pyrimidine
CID 123720032
4-Methyl-6-propan-2-yl-1,3-diazepin-4-amine
CID 129239062
2-Tert-butyl-4,4,6-trimethyl-1,3-diazepine
CID 130390686
N'-methyl-N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
CID 132011678
6-Ethyl-4,4-dimethyl-1,3-diazepine
CID 137446249
ethane;8-methyl-7,9a-dihydro-4aH-cyclohepta[d]pyrimidine
CID 141896552
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
4,5-dimethyl-4H-1,3-diazepine
CID 142088261

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-4H-1,3-diazepine?
The IUPAC name of 4-methyl-6-propan-2-yl-4H-1,3-diazepine (CID 129200463) is 4-methyl-6-propan-2-yl-4H-1,3-diazepine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-4H-1,3-diazepine?
The canonical SMILES for 4-methyl-6-propan-2-yl-4H-1,3-diazepine is CC1C=C(C(C)C)C=NC=N1.
What is the InChIKey of 4-methyl-6-propan-2-yl-4H-1,3-diazepine?
The InChIKey is FJGVHPPXFGYUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-4-8(3)11-6-10-5-9/h4-8H,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-4H-1,3-diazepine?
4-methyl-6-propan-2-yl-4H-1,3-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-4H-1,3-diazepine is sourced from PubChem (CID 129200463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).