4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile

C14H21N3 — CID 113489921

IUPAC4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
SMILESC[C@@H](NCC(C)(C)CCC#N)c1ccccn1
InChIInChI=1S/C14H21N3/c1-12(13-7-4-5-10-16-13)17-11-14(2,3)8-6-9-15/h4-5,7,10,12,17H,6,8,11H2,1-3H3/t12-/m1/s1
InChIKeyJOWLKEWJXXXYPE-GFCCVEGCSA-N
MW231.34 g/mol
LogP3.06
Rot. Bonds6

About 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile

4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile (PubChem CID 113489921) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
PubChem CID113489921
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
SMILESC[C@@H](NCC(C)(C)CCC#N)c1ccccn1
InChIInChI=1S/C14H21N3/c1-12(13-7-4-5-10-16-13)17-11-14(2,3)8-6-9-15/h4-5,7,10,12,17H,6,8,11H2,1-3H3/t12-/m1/s1
InChIKeyJOWLKEWJXXXYPE-GFCCVEGCSA-N
XLogP3.06
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
2-N,2-N,2-trimethyl-1-N-(1-pyridin-2-ylethyl)propane-1,2-diamine
CID 43203109
4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile
CID 113489749
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 114941166
5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489698
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
5-[1-(3-bromophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489727
2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile
CID 130654068
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
CID 103904295

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile (CID 113489921) is 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile is C[C@@H](NCC(C)(C)CCC#N)c1ccccn1.
What is the InChIKey of 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile?
The InChIKey is JOWLKEWJXXXYPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3/c1-12(13-7-4-5-10-16-13)17-11-14(2,3)8-6-9-15/h4-5,7,10,12,17H,6,8,11H2,1-3H3/t12-/m1/s1.
What are the key properties of 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile?
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile has a molecular weight of 231.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile is sourced from PubChem (CID 113489921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).