3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine

C10H12N2 — CID 147049296

IUPAC3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine
SMILESC#CC1=CC(C)=CN(NC)C1=C
InChIInChI=1S/C10H12N2/c1-5-10-6-8(2)7-12(11-4)9(10)3/h1,6-7,11H,3H2,2,4H3
InChIKeyJVSLJOZGCLZCFN-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.41
Rot. Bonds1

About 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine

3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine (PubChem CID 147049296) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine
PubChem CID147049296
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine
SMILESC#CC1=CC(C)=CN(NC)C1=C
InChIInChI=1S/C10H12N2/c1-5-10-6-8(2)7-12(11-4)9(10)3/h1,6-7,11H,3H2,2,4H3
InChIKeyJVSLJOZGCLZCFN-UHFFFAOYSA-N
XLogP1.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147857381
3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 160896325
N,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 161823292
1-Methyl-2,3,4,8-tetrahydro-1,2-benzodiazepine
CID 69986764
2,3,5-trimethyl-1H-pyridazine
CID 146392503
(3Z,5E,7E)-3-[amino(ethyl)amino]-8-ethynyl-N,5,9-trimethyldeca-3,5,7,9-tetraen-4-amine
CID 146518019
5-ethynyl-N,3-dimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 147049295
3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine
CID 155051776
ethane;(2Z)-2-ethylidene-N,3-dimethylpyridin-1-amine
CID 166097117
(2Z)-N,3-dimethyl-2-propylidenepyridin-1-amine;ethane
CID 166097215
N,4,5-trimethyl-2-methylidenepyridin-1-amine
CID 166858572
(2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane
CID 176660746

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine (CID 147049296) is 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine is C#CC1=CC(C)=CN(NC)C1=C.
What is the InChIKey of 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine?
The InChIKey is JVSLJOZGCLZCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-5-10-6-8(2)7-12(11-4)9(10)3/h1,6-7,11H,3H2,2,4H3.
What are the key properties of 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine?
3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 147049296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).