N-methyl-N-(pyridin-4-ylmethyl)ethynamine

C9H10N2 — CID 69190332

IUPACN-methyl-N-(pyridin-4-ylmethyl)ethynamine
SMILESC#CN(C)Cc1ccncc1
InChIInChI=1S/C9H10N2/c1-3-11(2)8-9-4-6-10-7-5-9/h1,4-7H,8H2,2H3
InChIKeyNXTKHQUJYUOZIB-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.10
Rot. Bonds2

About N-methyl-N-(pyridin-4-ylmethyl)ethynamine

N-methyl-N-(pyridin-4-ylmethyl)ethynamine (PubChem CID 69190332) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)ethynamine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)ethynamine
PubChem CID69190332
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)ethynamine
SMILESC#CN(C)Cc1ccncc1
InChIInChI=1S/C9H10N2/c1-3-11(2)8-9-4-6-10-7-5-9/h1,4-7H,8H2,2H3
InChIKeyNXTKHQUJYUOZIB-UHFFFAOYSA-N
XLogP1.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
2-[[methyl(pyridin-4-ylmethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284114
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 110724815
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
N-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420
4-(2-methylbut-3-ynyl)pyridine
CID 83929898
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
N-methyl-N-[2-(pyridin-4-ylmethoxy)ethyl]but-3-yn-2-amine
CID 175220435

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)ethynamine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)ethynamine (CID 69190332) is N-methyl-N-(pyridin-4-ylmethyl)ethynamine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)ethynamine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)ethynamine is C#CN(C)Cc1ccncc1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)ethynamine?
The InChIKey is NXTKHQUJYUOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-11(2)8-9-4-6-10-7-5-9/h1,4-7H,8H2,2H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)ethynamine?
N-methyl-N-(pyridin-4-ylmethyl)ethynamine has a molecular weight of 146.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)ethynamine is sourced from PubChem (CID 69190332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).