5,7-dimethyl-3-propan-2-yl-3H-diazepine

C10H16N2 — CID 45096252

IUPAC5,7-dimethyl-3-propan-2-yl-3H-diazepine
SMILESCC1=CC(C(C)C)N=NC(C)=C1
InChIInChI=1S/C10H16N2/c1-7(2)10-6-8(3)5-9(4)11-12-10/h5-7,10H,1-4H3
InChIKeyKZPFZEVEKATFEC-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.33
Rot. Bonds1

About 5,7-dimethyl-3-propan-2-yl-3H-diazepine

5,7-dimethyl-3-propan-2-yl-3H-diazepine (PubChem CID 45096252) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5,7-dimethyl-3-propan-2-yl-3H-diazepine.

Molecular Properties

Compound Name5,7-dimethyl-3-propan-2-yl-3H-diazepine
PubChem CID45096252
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5,7-dimethyl-3-propan-2-yl-3H-diazepine
SMILESCC1=CC(C(C)C)N=NC(C)=C1
InChIInChI=1S/C10H16N2/c1-7(2)10-6-8(3)5-9(4)11-12-10/h5-7,10H,1-4H3
InChIKeyKZPFZEVEKATFEC-UHFFFAOYSA-N
XLogP3.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-Dimethyl-3h-[1,2]diazepine
CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
3,5-dimethyl-7-propan-2-yl-3H-diazepine
CID 45096244
3,7-Diethyl-5-methyl-1,2(4H)-diazepine
CID 557158
3,5-di(propan-2-yl)-3H-pyrazole
CID 58574928
ethenyl-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]diazene
CID 134185786
(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine
CID 139378881
Ethane;(7-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)-methyldiazene
CID 143678833
ethane;6-methyl-6H-cyclohepta[c]pyridazine
CID 145651958
6-Methyl-2,3-diazabicyclo[5.5.0]dodeca-1(7),2,4,9,11-pentaene
CID 146407585
3-methyl-7-propan-2-yl-3H-diazepine
CID 163298604
butan-2-yl-[(3Z,5E,7E)-2,5,8,9-tetramethyl-6-propan-2-yldeca-3,5,7-trien-3-yl]diazene
CID 163389680

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-propan-2-yl-3H-diazepine?
The IUPAC name of 5,7-dimethyl-3-propan-2-yl-3H-diazepine (CID 45096252) is 5,7-dimethyl-3-propan-2-yl-3H-diazepine.
What is the SMILES notation for 5,7-dimethyl-3-propan-2-yl-3H-diazepine?
The canonical SMILES for 5,7-dimethyl-3-propan-2-yl-3H-diazepine is CC1=CC(C(C)C)N=NC(C)=C1.
What is the InChIKey of 5,7-dimethyl-3-propan-2-yl-3H-diazepine?
The InChIKey is KZPFZEVEKATFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10-6-8(3)5-9(4)11-12-10/h5-7,10H,1-4H3.
What are the key properties of 5,7-dimethyl-3-propan-2-yl-3H-diazepine?
5,7-dimethyl-3-propan-2-yl-3H-diazepine has a molecular weight of 164.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-propan-2-yl-3H-diazepine is sourced from PubChem (CID 45096252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).