2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile

C11H15N3 — CID 130654068

IUPAC2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile
SMILESC[C@@H](NC(C)(C)C#N)c1ccccn1
InChIInChI=1S/C11H15N3/c1-9(14-11(2,3)8-12)10-6-4-5-7-13-10/h4-7,9,14H,1-3H3/t9-/m1/s1
InChIKeyNSTLIHJOFXHFPC-SECBINFHSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds3

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

2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile (PubChem CID 130654068) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile
PubChem CID130654068
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile
SMILESC[C@@H](NC(C)(C)C#N)c1ccccn1
InChIInChI=1S/C11H15N3/c1-9(14-11(2,3)8-12)10-6-4-5-7-13-10/h4-7,9,14H,1-3H3/t9-/m1/s1
InChIKeyNSTLIHJOFXHFPC-SECBINFHSA-N
XLogP2.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
CID 113489921
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
N-[(1R)-1-pyridin-2-ylethyl]formamide
CID 40637873
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile?
The IUPAC name of 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile (CID 130654068) is 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile is C[C@@H](NC(C)(C)C#N)c1ccccn1.
What is the InChIKey of 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile?
The InChIKey is NSTLIHJOFXHFPC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(14-11(2,3)8-12)10-6-4-5-7-13-10/h4-7,9,14H,1-3H3/t9-/m1/s1.
What are the key properties of 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile?
2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile is sourced from PubChem (CID 130654068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).