ethane;6-ethyl-5-methyl-3,4-dihydropyridine

C10H19N — CID 142548905

IUPACethane;6-ethyl-5-methyl-3,4-dihydropyridine
SMILESCC.CCC1=C(C)CCC=N1
InChIInChI=1S/C8H13N.C2H6/c1-3-8-7(2)5-4-6-9-8;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyLULZAARBVPXHIT-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.56
Rot. Bonds1

About ethane;6-ethyl-5-methyl-3,4-dihydropyridine

ethane;6-ethyl-5-methyl-3,4-dihydropyridine (PubChem CID 142548905) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;6-ethyl-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;6-ethyl-5-methyl-3,4-dihydropyridine
PubChem CID142548905
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;6-ethyl-5-methyl-3,4-dihydropyridine
SMILESCC.CCC1=C(C)CCC=N1
InChIInChI=1S/C8H13N.C2H6/c1-3-8-7(2)5-4-6-9-8;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyLULZAARBVPXHIT-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
6-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 134593924
4-ethyl-5-methyl-3H-pyrrole
CID 20767300
4,5-di(propan-2-yl)-3H-pyrrole
CID 22891059
4,5-dimethyl-3H-pyrrole
CID 54481464
4-methyl-5-propan-2-yl-3H-pyrrole
CID 58574277
CID 58757170
CID 58757170
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 59359592
5,6-Dimethyl-3,4-dihydropyridine
CID 68338056
2,3-dimethyl-5-methylidene-4H-pyridine
CID 89005507
5-ethyl-4-methyl-3H-pyrrole
CID 89225448
1-(5-methyl-3,4-dihydropyridin-6-yl)-N-prop-1-en-2-ylmethanimine
CID 89748394

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-5-methyl-3,4-dihydropyridine?
The IUPAC name of ethane;6-ethyl-5-methyl-3,4-dihydropyridine (CID 142548905) is ethane;6-ethyl-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for ethane;6-ethyl-5-methyl-3,4-dihydropyridine?
The canonical SMILES for ethane;6-ethyl-5-methyl-3,4-dihydropyridine is CC.CCC1=C(C)CCC=N1.
What is the InChIKey of ethane;6-ethyl-5-methyl-3,4-dihydropyridine?
The InChIKey is LULZAARBVPXHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-3-8-7(2)5-4-6-9-8;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-5-methyl-3,4-dihydropyridine?
ethane;6-ethyl-5-methyl-3,4-dihydropyridine has a molecular weight of 153.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 142548905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).