2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile

C12H17N3 — CID 63264561

IUPAC2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
SMILESCCCN(CC#N)CCc1cccnc1
InChIInChI=1S/C12H17N3/c1-2-8-15(10-6-13)9-5-12-4-3-7-14-11-12/h3-4,7,11H,2,5,8-10H2,1H3
InChIKeyYTOBTDHJDGVKME-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds6

About 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile

2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile (PubChem CID 63264561) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
PubChem CID63264561
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
SMILESCCCN(CC#N)CCc1cccnc1
InChIInChI=1S/C12H17N3/c1-2-8-15(10-6-13)9-5-12-4-3-7-14-11-12/h3-4,7,11H,2,5,8-10H2,1H3
InChIKeyYTOBTDHJDGVKME-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-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 55207049
2-[2-phenylethyl(propyl)amino]acetonitrile
CID 55206924
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
2-[octyl(2-phenylethyl)amino]acetonitrile
CID 4554357
2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
CID 63262604
2-methyl-N-propyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 59134912
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
2-[methyl(2-pyridin-3-ylethyl)amino]propanenitrile
CID 63264562
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile?
The IUPAC name of 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile (CID 63264561) is 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile.
What is the SMILES notation for 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile?
The canonical SMILES for 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile is CCCN(CC#N)CCc1cccnc1.
What is the InChIKey of 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile?
The InChIKey is YTOBTDHJDGVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-8-15(10-6-13)9-5-12-4-3-7-14-11-12/h3-4,7,11H,2,5,8-10H2,1H3.
What are the key properties of 2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile?
2-[propyl(2-pyridin-3-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-3-ylethyl)amino]acetonitrile is sourced from PubChem (CID 63264561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).