2,5-dimethyl-2,5-dihydropyridine;ethane

C9H17N — CID 145385713

IUPAC2,5-dimethyl-2,5-dihydropyridine;ethane
SMILESCC.CC1C=CC(C)N=C1
InChIInChI=1S/C7H11N.C2H6/c1-6-3-4-7(2)8-5-6;1-2/h3-7H,1-2H3;1-2H3
InChIKeyHMZMSVNYDBWLGI-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds

About 2,5-dimethyl-2,5-dihydropyridine;ethane

2,5-dimethyl-2,5-dihydropyridine;ethane (PubChem CID 145385713) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-dihydropyridine;ethane.

Molecular Properties

Compound Name2,5-dimethyl-2,5-dihydropyridine;ethane
PubChem CID145385713
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,5-dimethyl-2,5-dihydropyridine;ethane
SMILESCC.CC1C=CC(C)N=C1
InChIInChI=1S/C7H11N.C2H6/c1-6-3-4-7(2)8-5-6;1-2/h3-7H,1-2H3;1-2H3
InChIKeyHMZMSVNYDBWLGI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Bis-propylideneaniline
CID 129791915
5-Methyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90934958
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
(4Z,8Z)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 20436153
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 22811541
3,12,12-Trimethyl-1-aza-1,5,9-cyclododecatriene
CID 53687623
N-tert-butylpent-3-en-1-imine
CID 57114189
5-Methyl-2,5-dihydropyridine
CID 57146774
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
3-Methyl-3,8a-dihydroquinoline
CID 58797905
(Z)-N-tert-butyl-4-methylpent-2-en-1-imine
CID 59848858

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-dihydropyridine;ethane?
The IUPAC name of 2,5-dimethyl-2,5-dihydropyridine;ethane (CID 145385713) is 2,5-dimethyl-2,5-dihydropyridine;ethane.
What is the SMILES notation for 2,5-dimethyl-2,5-dihydropyridine;ethane?
The canonical SMILES for 2,5-dimethyl-2,5-dihydropyridine;ethane is CC.CC1C=CC(C)N=C1.
What is the InChIKey of 2,5-dimethyl-2,5-dihydropyridine;ethane?
The InChIKey is HMZMSVNYDBWLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6-3-4-7(2)8-5-6;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-2,5-dihydropyridine;ethane?
2,5-dimethyl-2,5-dihydropyridine;ethane has a molecular weight of 139.24 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-dihydropyridine;ethane is sourced from PubChem (CID 145385713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).