3,4-dimethyl-7-propyl-4,5-dihydrooxazepine

C10H17NO — CID 166706334

IUPAC3,4-dimethyl-7-propyl-4,5-dihydrooxazepine
SMILESCCCC1=CCC(C)C(C)=NO1
InChIInChI=1S/C10H17NO/c1-4-5-10-7-6-8(2)9(3)11-12-10/h7-8H,4-6H2,1-3H3
InChIKeyMEBJBJHDOGUKOO-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.10
Rot. Bonds2

About 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine

3,4-dimethyl-7-propyl-4,5-dihydrooxazepine (PubChem CID 166706334) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine.

Molecular Properties

Compound Name3,4-dimethyl-7-propyl-4,5-dihydrooxazepine
PubChem CID166706334
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,4-dimethyl-7-propyl-4,5-dihydrooxazepine
SMILESCCCC1=CCC(C)C(C)=NO1
InChIInChI=1S/C10H17NO/c1-4-5-10-7-6-8(2)9(3)11-12-10/h7-8H,4-6H2,1-3H3
InChIKeyMEBJBJHDOGUKOO-UHFFFAOYSA-N
XLogP3.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethyl-7-(trifluoromethyl)-4,5-dihydrooxazepine
CID 162563415
3,4-Dimethyl-7-[1-(1-methylcyclopropyl)ethyl]-4,5-dihydrooxazepine
CID 91437613
4,7-Dimethyl-3-propan-2-yl-4,5-dihydrooxazepine
CID 91564422
3-ethyl-4,6-dimethyl-4H-oxazine
CID 142167099
7-methyl-3-[(2S)-2-methylbutyl]oxazepine
CID 143219948
6-methyl-3-(2-methylpropyl)-4H-oxazine
CID 143219950
3-Tert-butyl-7-ethyl-4,5-dihydrooxazepine
CID 144399229
6-(2,3-dimethylbutyl)-3,4-dimethyl-4H-oxazine
CID 146581273
(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
CID 178166520

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine?
The IUPAC name of 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine (CID 166706334) is 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine.
What is the SMILES notation for 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine?
The canonical SMILES for 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine is CCCC1=CCC(C)C(C)=NO1.
What is the InChIKey of 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine?
The InChIKey is MEBJBJHDOGUKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-10-7-6-8(2)9(3)11-12-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine?
3,4-dimethyl-7-propyl-4,5-dihydrooxazepine has a molecular weight of 167.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-propyl-4,5-dihydrooxazepine is sourced from PubChem (CID 166706334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).