3-ethynyl-5-methyl-2-methylidenepyridin-1-amine

C9H10N2 — CID 160987579

IUPAC3-ethynyl-5-methyl-2-methylidenepyridin-1-amine
SMILESC#CC1=CC(C)=CN(N)C1=C
InChIInChI=1S/C9H10N2/c1-4-9-5-7(2)6-11(10)8(9)3/h1,5-6H,3,10H2,2H3
InChIKeyQUDGGCOFGOUCFY-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.15
Rot. Bonds

About 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine

3-ethynyl-5-methyl-2-methylidenepyridin-1-amine (PubChem CID 160987579) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-ethynyl-5-methyl-2-methylidenepyridin-1-amine
PubChem CID160987579
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-ethynyl-5-methyl-2-methylidenepyridin-1-amine
SMILESC#CC1=CC(C)=CN(N)C1=C
InChIInChI=1S/C9H10N2/c1-4-9-5-7(2)6-11(10)8(9)3/h1,5-6H,3,10H2,2H3
InChIKeyQUDGGCOFGOUCFY-UHFFFAOYSA-N
XLogP1.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylidene-3-propylidenepyrrol-1-amine
CID 123716269
(2Z)-5-methyl-2-prop-2-enylidenepyridin-1-amine
CID 155349912
5-ethynyl-N,N,3-trimethyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 157653169
5-ethynyl-3-methyl-6-methylidene-2H-pyridin-2-id-1-amine;yttrium
CID 160987578
3-ethynyl-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147049296
5-Methyl-2-methylidenepyridin-1-amine
CID 147720146
3-Ethynyl-1,5-dimethyl-2-methylidenepyridine
CID 148112387
3-ethynyl-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 157653170
3,5-Dimethyl-2-methylidenepyridin-1-amine
CID 160498350
N,3,5-trimethyl-2-methylidenepyridin-1-amine
CID 161134979

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine (CID 160987579) is 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine is C#CC1=CC(C)=CN(N)C1=C.
What is the InChIKey of 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine?
The InChIKey is QUDGGCOFGOUCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-4-9-5-7(2)6-11(10)8(9)3/h1,5-6H,3,10H2,2H3.
What are the key properties of 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine?
3-ethynyl-5-methyl-2-methylidenepyridin-1-amine has a molecular weight of 146.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-5-methyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 160987579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).