(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile

C9H11N3 — CID 129389482

IUPAC(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile
SMILESCCc1ccc([C@H](N)C#N)nc1
InChIInChI=1S/C9H11N3/c1-2-7-3-4-9(12-6-7)8(11)5-10/h3-4,6,8H,2,11H2,1H3/t8-/m1/s1
InChIKeyYSDIYIBPRLSSQN-MRVPVSSYSA-N
MW161.21 g/mol
LogP1.17
Rot. Bonds2

About (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile

(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile (PubChem CID 129389482) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile
PubChem CID129389482
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile
SMILESCCc1ccc([C@H](N)C#N)nc1
InChIInChI=1S/C9H11N3/c1-2-7-3-4-9(12-6-7)8(11)5-10/h3-4,6,8H,2,11H2,1H3/t8-/m1/s1
InChIKeyYSDIYIBPRLSSQN-MRVPVSSYSA-N
XLogP1.17
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile
CID 131186130
2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
CID 130061052
4-[1-(5-ethyl-2-pyridinyl)ethyl]morpholine
CID 118638750
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol
CID 131171813
[2-acetyloxy-2-(5-ethyl-2-pyridinyl)ethyl] acetate
CID 66823428
2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
CID 83126884
5-ethyl-2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 153384490
1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile
CID 167219039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile?
The IUPAC name of (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile (CID 129389482) is (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile?
The canonical SMILES for (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile is CCc1ccc([C@H](N)C#N)nc1.
What is the InChIKey of (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile?
The InChIKey is YSDIYIBPRLSSQN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-7-3-4-9(12-6-7)8(11)5-10/h3-4,6,8H,2,11H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile?
(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 129389482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).