2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile

C9H11N3 — CID 81407753

IUPAC2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
SMILESC[C@@H](NCC#N)c1ccccn1
InChIInChI=1S/C9H11N3/c1-8(11-7-5-10)9-4-2-3-6-12-9/h2-4,6,8,11H,7H2,1H3/t8-/m1/s1
InChIKeyFWZHOGZOGNCJDM-MRVPVSSYSA-N
MW161.21 g/mol
LogP1.26
Rot. Bonds3

About 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile

2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile (PubChem CID 81407753) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
PubChem CID81407753
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
SMILESC[C@@H](NCC#N)c1ccccn1
InChIInChI=1S/C9H11N3/c1-8(11-7-5-10)9-4-2-3-6-12-9/h2-4,6,8,11H,7H2,1H3/t8-/m1/s1
InChIKeyFWZHOGZOGNCJDM-MRVPVSSYSA-N
XLogP1.26
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
CID 81401770
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
CID 113489921
2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81401842
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile?
The IUPAC name of 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile (CID 81407753) is 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile.
What is the SMILES notation for 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile?
The canonical SMILES for 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile is C[C@@H](NCC#N)c1ccccn1.
What is the InChIKey of 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile?
The InChIKey is FWZHOGZOGNCJDM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3/c1-8(11-7-5-10)9-4-2-3-6-12-9/h2-4,6,8,11H,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile?
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile is sourced from PubChem (CID 81407753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).