N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine

C10H12N2 — CID 10654534

IUPACN,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine
SMILESCN(C)CC#Cc1cccnc1
InChIInChI=1S/C10H12N2/c1-12(2)8-4-6-10-5-3-7-11-9-10/h3,5,7,9H,8H2,1-2H3
InChIKeyOFJZYKKOFXREQZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.99
Rot. Bonds1

About N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine

N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine (PubChem CID 10654534) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine
PubChem CID10654534
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine
SMILESCN(C)CC#Cc1cccnc1
InChIInChI=1S/C10H12N2/c1-12(2)8-4-6-10-5-3-7-11-9-10/h3,5,7,9H,8H2,1-2H3
InChIKeyOFJZYKKOFXREQZ-UHFFFAOYSA-N
XLogP0.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
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,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine?
The IUPAC name of N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine (CID 10654534) is N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine?
The canonical SMILES for N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine is CN(C)CC#Cc1cccnc1.
What is the InChIKey of N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine?
The InChIKey is OFJZYKKOFXREQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12(2)8-4-6-10-5-3-7-11-9-10/h3,5,7,9H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine?
N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine has a molecular weight of 160.22 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyridin-3-ylprop-2-yn-1-amine is sourced from PubChem (CID 10654534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).