2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile

C12H17N3 — CID 55207049

IUPAC2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
SMILESCCCN(CC#N)CCc1ccncc1
InChIInChI=1S/C12H17N3/c1-2-9-15(11-6-13)10-5-12-3-7-14-8-4-12/h3-4,7-8H,2,5,9-11H2,1H3
InChIKeyIOJARQTZBPIHAW-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds6

About 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile

2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile (PubChem CID 55207049) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
PubChem CID55207049
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
SMILESCCCN(CC#N)CCc1ccncc1
InChIInChI=1S/C12H17N3/c1-2-9-15(11-6-13)10-5-12-3-7-14-8-4-12/h3-4,7-8H,2,5,9-11H2,1H3
InChIKeyIOJARQTZBPIHAW-UHFFFAOYSA-N
XLogP1.86
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-phenylethyl(propyl)amino]acetonitrile
CID 55206924
2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
CID 63264561
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
2-[octyl(2-phenylethyl)amino]acetonitrile
CID 4554357
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796
3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile
CID 80510544
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
2-[(4-chlorophenyl)methyl-propylamino]acetonitrile
CID 12861903

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile?
The IUPAC name of 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile (CID 55207049) is 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile.
What is the SMILES notation for 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile?
The canonical SMILES for 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile is CCCN(CC#N)CCc1ccncc1.
What is the InChIKey of 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile?
The InChIKey is IOJARQTZBPIHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-9-15(11-6-13)10-5-12-3-7-14-8-4-12/h3-4,7-8H,2,5,9-11H2,1H3.
What are the key properties of 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile?
2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile has a molecular weight of 203.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile is sourced from PubChem (CID 55207049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).