5,6-dimethyl-3,4-dihydropyridine;ethane

C9H17N — CID 143782330

IUPAC5,6-dimethyl-3,4-dihydropyridine;ethane
SMILESCC.CC1=C(C)N=CCC1
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyOXTYRWIYUDMVMX-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds

About 5,6-dimethyl-3,4-dihydropyridine;ethane

5,6-dimethyl-3,4-dihydropyridine;ethane (PubChem CID 143782330) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydropyridine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydropyridine;ethane
PubChem CID143782330
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5,6-dimethyl-3,4-dihydropyridine;ethane
SMILESCC.CC1=C(C)N=CCC1
InChIInChI=1S/C7H11N.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyOXTYRWIYUDMVMX-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
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 5,6-dimethyl-3,4-dihydropyridine;ethane?
The IUPAC name of 5,6-dimethyl-3,4-dihydropyridine;ethane (CID 143782330) is 5,6-dimethyl-3,4-dihydropyridine;ethane.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydropyridine;ethane?
The canonical SMILES for 5,6-dimethyl-3,4-dihydropyridine;ethane is CC.CC1=C(C)N=CCC1.
What is the InChIKey of 5,6-dimethyl-3,4-dihydropyridine;ethane?
The InChIKey is OXTYRWIYUDMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 5,6-dimethyl-3,4-dihydropyridine;ethane?
5,6-dimethyl-3,4-dihydropyridine;ethane has a molecular weight of 139.24 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydropyridine;ethane is sourced from PubChem (CID 143782330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).