4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine

C10H17NO — CID 91564422

IUPAC4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine
SMILESCC1=CCC(C)C(C(C)C)=NO1
InChIInChI=1S/C10H17NO/c1-7(2)10-8(3)5-6-9(4)12-11-10/h6-8H,5H2,1-4H3
InChIKeyYMWMWERFEOZVTL-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.96
Rot. Bonds1

About 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine

4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine (PubChem CID 91564422) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine.

Molecular Properties

Compound Name4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine
PubChem CID91564422
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine
SMILESCC1=CCC(C)C(C(C)C)=NO1
InChIInChI=1S/C10H17NO/c1-7(2)10-8(3)5-6-9(4)12-11-10/h6-8H,5H2,1-4H3
InChIKeyYMWMWERFEOZVTL-UHFFFAOYSA-N
XLogP2.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-N-[(E)-4,7-dimethylnon-6-en-3-ylidene]hydroxylamine
CID 20265267
N-methoxy-4,7-dimethyloct-6-en-3-imine
CID 54099560
N-(4,7-Dimethylnon-6-en-3-ylidene)hydroxylamine
CID 71411342
(E)-N-methoxy-4,7-dimethyloct-6-en-3-imine
CID 88157185
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
(Z,Z)-N-methoxy-5-methyloct-2-en-4-imine
CID 146604755
3,4-Dimethyl-7-propyl-4,5-dihydrooxazepine
CID 166706334
(NZ)-N-[(E)-4-methylnon-6-en-3-ylidene]hydroxylamine
CID 170291520

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine?
The IUPAC name of 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine (CID 91564422) is 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine.
What is the SMILES notation for 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine?
The canonical SMILES for 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine is CC1=CCC(C)C(C(C)C)=NO1.
What is the InChIKey of 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine?
The InChIKey is YMWMWERFEOZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)10-8(3)5-6-9(4)12-11-10/h6-8H,5H2,1-4H3.
What are the key properties of 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine?
4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine has a molecular weight of 167.25 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3-propan-2-yl-4,5-dihydrooxazepine is sourced from PubChem (CID 91564422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).