3-ethyl-5,7-dimethyl-4H-azepine

C10H15N — CID 91481877

IUPAC3-ethyl-5,7-dimethyl-4H-azepine
SMILESCCC1=CN=C(C)C=C(C)C1
InChIInChI=1S/C10H15N/c1-4-10-6-8(2)5-9(3)11-7-10/h5,7H,4,6H2,1-3H3
InChIKeyKJRZSKFBTOXHIE-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds1

About 3-ethyl-5,7-dimethyl-4H-azepine

3-ethyl-5,7-dimethyl-4H-azepine (PubChem CID 91481877) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-ethyl-5,7-dimethyl-4H-azepine.

Molecular Properties

Compound Name3-ethyl-5,7-dimethyl-4H-azepine
PubChem CID91481877
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-ethyl-5,7-dimethyl-4H-azepine
SMILESCCC1=CN=C(C)C=C(C)C1
InChIInChI=1S/C10H15N/c1-4-10-6-8(2)5-9(3)11-7-10/h5,7H,4,6H2,1-3H3
InChIKeyKJRZSKFBTOXHIE-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 135292598
6-fluoro-3,7-dimethyl-4H-azepine
CID 166836669
1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine
CID 166907556
3-(1-fluorobutyl)-7-methyl-4H-azepine
CID 166991046
(2Z,6Z,8Z)-3,10-dimethyl-4,5-dihydroazecine
CID 68308303
2-Ethyl-4,6-dimethyl-2,3-dihydropyridine
CID 68383572
N-ethenyl-4-methylpent-3-en-2-imine
CID 87074370
(4Z)-2-methyl-N-[(Z)-prop-1-enyl]hexa-1,4-dien-3-imine
CID 88960570
3,7-dimethyl-4H-azepine
CID 89117434
7-ethyl-5-methyl-4H-azepine
CID 89242679
(Z)-N,3-dimethylhept-2-en-4-imine
CID 89441742
6-methylidene-N-[(Z)-prop-1-enyl]cyclohex-2-en-1-imine
CID 89473885

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7-dimethyl-4H-azepine?
The IUPAC name of 3-ethyl-5,7-dimethyl-4H-azepine (CID 91481877) is 3-ethyl-5,7-dimethyl-4H-azepine.
What is the SMILES notation for 3-ethyl-5,7-dimethyl-4H-azepine?
The canonical SMILES for 3-ethyl-5,7-dimethyl-4H-azepine is CCC1=CN=C(C)C=C(C)C1.
What is the InChIKey of 3-ethyl-5,7-dimethyl-4H-azepine?
The InChIKey is KJRZSKFBTOXHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-10-6-8(2)5-9(3)11-7-10/h5,7H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-5,7-dimethyl-4H-azepine?
3-ethyl-5,7-dimethyl-4H-azepine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-dimethyl-4H-azepine is sourced from PubChem (CID 91481877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).