3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile

C12H17N3 — CID 81405126

IUPAC3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
SMILESCCC(CC#N)N[C@H](C)c1cccnc1
InChIInChI=1S/C12H17N3/c1-3-12(6-7-13)15-10(2)11-5-4-8-14-9-11/h4-5,8-10,12,15H,3,6H2,1-2H3/t10-,12?/m1/s1
InChIKeyFZBYIHOQSDQVSP-RWANSRKNSA-N
MW203.29 g/mol
LogP2.42
Rot. Bonds5

About 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile

3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile (PubChem CID 81405126) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile.

Molecular Properties

Compound Name3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
PubChem CID81405126
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
SMILESCCC(CC#N)N[C@H](C)c1cccnc1
InChIInChI=1S/C12H17N3/c1-3-12(6-7-13)15-10(2)11-5-4-8-14-9-11/h4-5,8-10,12,15H,3,6H2,1-2H3/t10-,12?/m1/s1
InChIKeyFZBYIHOQSDQVSP-RWANSRKNSA-N
XLogP2.42
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
CID 171259888
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]pentanenitrile
CID 81360191
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404259
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile?
The IUPAC name of 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile (CID 81405126) is 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile.
What is the SMILES notation for 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile?
The canonical SMILES for 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile is CCC(CC#N)N[C@H](C)c1cccnc1.
What is the InChIKey of 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile?
The InChIKey is FZBYIHOQSDQVSP-RWANSRKNSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-12(6-7-13)15-10(2)11-5-4-8-14-9-11/h4-5,8-10,12,15H,3,6H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile?
3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile is sourced from PubChem (CID 81405126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).