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

C10H16N2 — CID 45096244

IUPAC3,5-dimethyl-7-propan-2-yl-3H-diazepine
SMILESCC1=CC(C)N=NC(C(C)C)=C1
InChIInChI=1S/C10H16N2/c1-7(2)10-6-8(3)5-9(4)11-12-10/h5-7,9H,1-4H3
InChIKeyNGMJVYAIVJPEJV-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.33
Rot. Bonds1

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

3,5-dimethyl-7-propan-2-yl-3H-diazepine (PubChem CID 45096244) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,5-dimethyl-7-propan-2-yl-3H-diazepine.

Molecular Properties

Compound Name3,5-dimethyl-7-propan-2-yl-3H-diazepine
PubChem CID45096244
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3,5-dimethyl-7-propan-2-yl-3H-diazepine
SMILESCC1=CC(C)N=NC(C(C)C)=C1
InChIInChI=1S/C10H16N2/c1-7(2)10-6-8(3)5-9(4)11-12-10/h5-7,9H,1-4H3
InChIKeyNGMJVYAIVJPEJV-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

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CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
5,7-dimethyl-3-propan-2-yl-3H-diazepine
CID 45096252
3,7-Diethyl-5-methyl-1,2(4H)-diazepine
CID 557158
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
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4-Azido-2-methylcyclohepta-1,3,5-triene
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methyl-[(3Z)-5-methylhexa-3,5-dien-3-yl]diazene
CID 129033363
Methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
CID 130442067
(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine
CID 139385892
ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-3H-pyrazole
CID 142078692
(3,5-Dimethylcyclohepta-1,4,6-trien-1-yl)-(3-methylcyclohepta-1,4,6-trien-1-yl)diazene
CID 142811039
3,7-dimethyl-3H-diazepine
CID 142893871

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-propan-2-yl-3H-diazepine?
The IUPAC name of 3,5-dimethyl-7-propan-2-yl-3H-diazepine (CID 45096244) is 3,5-dimethyl-7-propan-2-yl-3H-diazepine.
What is the SMILES notation for 3,5-dimethyl-7-propan-2-yl-3H-diazepine?
The canonical SMILES for 3,5-dimethyl-7-propan-2-yl-3H-diazepine is CC1=CC(C)N=NC(C(C)C)=C1.
What is the InChIKey of 3,5-dimethyl-7-propan-2-yl-3H-diazepine?
The InChIKey is NGMJVYAIVJPEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10-6-8(3)5-9(4)11-12-10/h5-7,9H,1-4H3.
What are the key properties of 3,5-dimethyl-7-propan-2-yl-3H-diazepine?
3,5-dimethyl-7-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 3,5-dimethyl-7-propan-2-yl-3H-diazepine is sourced from PubChem (CID 45096244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).