5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile

C13H25N3 — CID 115716628

IUPAC5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
SMILESCCN1CCC(NCCCCC#N)CC1C
InChIInChI=1S/C13H25N3/c1-3-16-10-7-13(11-12(16)2)15-9-6-4-5-8-14/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyGVEYKXKDEXPVTG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds6

About 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile

5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile (PubChem CID 115716628) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
PubChem CID115716628
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
SMILESCCN1CCC(NCCCCC#N)CC1C
InChIInChI=1S/C13H25N3/c1-3-16-10-7-13(11-12(16)2)15-9-6-4-5-8-14/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyGVEYKXKDEXPVTG-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
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

1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine
CID 115709757
3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 104695392
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
CID 115887559
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
CID 64734426
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342
N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
CID 115705729
5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
CID 115717320
2-methyl-N-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperidin-4-amine
CID 79358560
N-cyclohexyl-1-ethyl-2-methylpiperidin-4-amine
CID 115654044

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
The IUPAC name of 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile (CID 115716628) is 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile.
What is the SMILES notation for 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
The canonical SMILES for 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile is CCN1CCC(NCCCCC#N)CC1C.
What is the InChIKey of 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
The InChIKey is GVEYKXKDEXPVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-16-10-7-13(11-12(16)2)15-9-6-4-5-8-14/h12-13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile is sourced from PubChem (CID 115716628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).