ethane;4-ethyl-4H-azepine

C10H17N — CID 172579858

IUPACethane;4-ethyl-4H-azepine
SMILESCC.CCC1C=CC=NC=C1
InChIInChI=1S/C8H11N.C2H6/c1-2-8-4-3-6-9-7-5-8;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyMNSIGOJOVKZMHS-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds1

About ethane;4-ethyl-4H-azepine

ethane;4-ethyl-4H-azepine (PubChem CID 172579858) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is ethane;4-ethyl-4H-azepine.

Molecular Properties

Compound Nameethane;4-ethyl-4H-azepine
PubChem CID172579858
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Nameethane;4-ethyl-4H-azepine
SMILESCC.CCC1C=CC=NC=C1
InChIInChI=1S/C8H11N.C2H6/c1-2-8-4-3-6-9-7-5-8;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyMNSIGOJOVKZMHS-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-4H-azepine
CID 90736264
4-propyl-4H-azepine
CID 123929548
5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869
potassium;5-ethylcyclopenta-1,3-diene;hydride
CID 174542607
azete;ethane
CID 123917494
11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
CID 91364988
4-ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
3-(ethylamino)-3H-pyridin-2-one
CID 90269984
(7Z)-azocine
CID 66692791
2-tert-butyl-4,5-bis(2-methylbutan-2-yl)imidazole-2-carboxylic acid;5-ethylcyclopenta-1,3-diene
CID 89455431
(3Z,5Z,7Z)-azocine;dihydrochloride
CID 139959973
5,6-diethylcyclohexa-1,3-diene
CID 556515

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-4H-azepine?
The IUPAC name of ethane;4-ethyl-4H-azepine (CID 172579858) is ethane;4-ethyl-4H-azepine.
What is the SMILES notation for ethane;4-ethyl-4H-azepine?
The canonical SMILES for ethane;4-ethyl-4H-azepine is CC.CCC1C=CC=NC=C1.
What is the InChIKey of ethane;4-ethyl-4H-azepine?
The InChIKey is MNSIGOJOVKZMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H6/c1-2-8-4-3-6-9-7-5-8;1-2/h3-8H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-4H-azepine?
ethane;4-ethyl-4H-azepine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-4H-azepine is sourced from PubChem (CID 172579858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).