N-methyl-3-pyridin-3-ylprop-2-yn-1-amine

C9H10N2 — CID 10510985

IUPACN-methyl-3-pyridin-3-ylprop-2-yn-1-amine
SMILESCNCC#Cc1cccnc1
InChIInChI=1S/C9H10N2/c1-10-6-2-4-9-5-3-7-11-8-9/h3,5,7-8,10H,6H2,1H3
InChIKeyNTEDXDYFBMNKGE-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.65
Rot. Bonds1

About N-methyl-3-pyridin-3-ylprop-2-yn-1-amine

N-methyl-3-pyridin-3-ylprop-2-yn-1-amine (PubChem CID 10510985) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-ylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-ylprop-2-yn-1-amine
PubChem CID10510985
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC NameN-methyl-3-pyridin-3-ylprop-2-yn-1-amine
SMILESCNCC#Cc1cccnc1
InChIInChI=1S/C9H10N2/c1-10-6-2-4-9-5-3-7-11-8-9/h3,5,7-8,10H,6H2,1H3
InChIKeyNTEDXDYFBMNKGE-UHFFFAOYSA-N
XLogP0.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-ylprop-2-yn-1-amine?
The IUPAC name of N-methyl-3-pyridin-3-ylprop-2-yn-1-amine (CID 10510985) is N-methyl-3-pyridin-3-ylprop-2-yn-1-amine.
What is the SMILES notation for N-methyl-3-pyridin-3-ylprop-2-yn-1-amine?
The canonical SMILES for N-methyl-3-pyridin-3-ylprop-2-yn-1-amine is CNCC#Cc1cccnc1.
What is the InChIKey of N-methyl-3-pyridin-3-ylprop-2-yn-1-amine?
The InChIKey is NTEDXDYFBMNKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-10-6-2-4-9-5-3-7-11-8-9/h3,5,7-8,10H,6H2,1H3.
What are the key properties of N-methyl-3-pyridin-3-ylprop-2-yn-1-amine?
N-methyl-3-pyridin-3-ylprop-2-yn-1-amine has a molecular weight of 146.19 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-ylprop-2-yn-1-amine is sourced from PubChem (CID 10510985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).