1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine

C11H17N3 — CID 91406136

IUPAC1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine
SMILESC=C(C)C=NN(C)CC1CC=CC=N1
InChIInChI=1S/C11H17N3/c1-10(2)8-13-14(3)9-11-6-4-5-7-12-11/h4-5,7-8,11H,1,6,9H2,2-3H3
InChIKeyVPUHENJXAITKEV-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.88
Rot. Bonds4

About 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine

1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine (PubChem CID 91406136) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine
PubChem CID91406136
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine
SMILESC=C(C)C=NN(C)CC1CC=CC=N1
InChIInChI=1S/C11H17N3/c1-10(2)8-13-14(3)9-11-6-4-5-7-12-11/h4-5,7-8,11H,1,6,9H2,2-3H3
InChIKeyVPUHENJXAITKEV-UHFFFAOYSA-N
XLogP1.88
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine?
The IUPAC name of 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine (CID 91406136) is 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine.
What is the SMILES notation for 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine?
The canonical SMILES for 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine is C=C(C)C=NN(C)CC1CC=CC=N1.
What is the InChIKey of 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine?
The InChIKey is VPUHENJXAITKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10(2)8-13-14(3)9-11-6-4-5-7-12-11/h4-5,7-8,11H,1,6,9H2,2-3H3.
What are the key properties of 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine?
1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-2-yl)-N-methyl-N-(2-methylprop-2-enylideneamino)methanamine is sourced from PubChem (CID 91406136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).