3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile

C13H25N3 — CID 104695392

IUPAC3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(CC)C(C)C1
InChIInChI=1S/C13H25N3/c1-4-12(6-8-14)15-13-7-9-16(5-2)11(3)10-13/h11-13,15H,4-7,9-10H2,1-3H3
InChIKeyCXKGDESIKCKVBV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds5

About 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile

3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile (PubChem CID 104695392) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
PubChem CID104695392
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(CC)C(C)C1
InChIInChI=1S/C13H25N3/c1-4-12(6-8-14)15-13-7-9-16(5-2)11(3)10-13/h11-13,15H,4-7,9-10H2,1-3H3
InChIKeyCXKGDESIKCKVBV-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
CID 115705729
3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
CID 43373491
5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 115716628
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile
CID 55101555
3-(thian-4-ylamino)pentanenitrile
CID 62646226
1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
CID 115887559
N-cyclohexyl-1-ethyl-2-methylpiperidin-4-amine
CID 115654044
3-[(2-methylthiolan-3-yl)amino]pentanenitrile
CID 102673060
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile
CID 112682097
N-heptan-3-yl-1,2-dimethylpiperidin-4-amine
CID 81342937
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
The IUPAC name of 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile (CID 104695392) is 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
The canonical SMILES for 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile is CCC(CC#N)NC1CCN(CC)C(C)C1.
What is the InChIKey of 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
The InChIKey is CXKGDESIKCKVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-12(6-8-14)15-13-7-9-16(5-2)11(3)10-13/h11-13,15H,4-7,9-10H2,1-3H3.
What are the key properties of 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile?
3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile is sourced from PubChem (CID 104695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).