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

C12H17N3 — CID 81410148

IUPAC5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
SMILESC[C@@H](NCCCCC#N)c1ccncc1
InChIInChI=1S/C12H17N3/c1-11(12-5-9-14-10-6-12)15-8-4-2-3-7-13/h5-6,9-11,15H,2-4,8H2,1H3/t11-/m1/s1
InChIKeyABJJRKOFOBBBEJ-LLVKDONJSA-N
MW203.29 g/mol
LogP2.43
Rot. Bonds6

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

5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile (PubChem CID 81410148) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile.

Molecular Properties

Compound Name5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
PubChem CID81410148
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
SMILESC[C@@H](NCCCCC#N)c1ccncc1
InChIInChI=1S/C12H17N3/c1-11(12-5-9-14-10-6-12)15-8-4-2-3-7-13/h5-6,9-11,15H,2-4,8H2,1H3/t11-/m1/s1
InChIKeyABJJRKOFOBBBEJ-LLVKDONJSA-N
XLogP2.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile
CID 106709081
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
2,2-dimethyl-5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410476
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butanenitrile
CID 81348362
4-methylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 103088256
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
N-[(1S)-1-pyridin-4-ylethyl]pent-3-yn-1-amine
CID 104807399
5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
CID 115716617
3-methylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81410572

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile?
The IUPAC name of 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile (CID 81410148) is 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile.
What is the SMILES notation for 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile?
The canonical SMILES for 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile is C[C@@H](NCCCCC#N)c1ccncc1.
What is the InChIKey of 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile?
The InChIKey is ABJJRKOFOBBBEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N3/c1-11(12-5-9-14-10-6-12)15-8-4-2-3-7-13/h5-6,9-11,15H,2-4,8H2,1H3/t11-/m1/s1.
What are the key properties of 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile?
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile is sourced from PubChem (CID 81410148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).