3-[ethyl(piperidin-3-yl)amino]propanenitrile

C10H19N3 — CID 63636952

IUPAC3-[ethyl(piperidin-3-yl)amino]propanenitrile
SMILESCCN(CCC#N)C1CCCNC1
InChIInChI=1S/C10H19N3/c1-2-13(8-4-6-11)10-5-3-7-12-9-10/h10,12H,2-5,7-9H2,1H3
InChIKeyLUGNFTFXKSRRQF-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.97
Rot. Bonds4

About 3-[ethyl(piperidin-3-yl)amino]propanenitrile

3-[ethyl(piperidin-3-yl)amino]propanenitrile (PubChem CID 63636952) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[ethyl(piperidin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl(piperidin-3-yl)amino]propanenitrile
PubChem CID63636952
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[ethyl(piperidin-3-yl)amino]propanenitrile
SMILESCCN(CCC#N)C1CCCNC1
InChIInChI=1S/C10H19N3/c1-2-13(8-4-6-11)10-5-3-7-12-9-10/h10,12H,2-5,7-9H2,1H3
InChIKeyLUGNFTFXKSRRQF-UHFFFAOYSA-N
XLogP0.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-propylpiperidin-3-amine
CID 43317075
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
N-ethyl-N-(2-propoxyethyl)piperidin-3-amine
CID 106455012
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
CID 102734559
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-3-yl)amino]propanenitrile?
The IUPAC name of 3-[ethyl(piperidin-3-yl)amino]propanenitrile (CID 63636952) is 3-[ethyl(piperidin-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl(piperidin-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl(piperidin-3-yl)amino]propanenitrile is CCN(CCC#N)C1CCCNC1.
What is the InChIKey of 3-[ethyl(piperidin-3-yl)amino]propanenitrile?
The InChIKey is LUGNFTFXKSRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-13(8-4-6-11)10-5-3-7-12-9-10/h10,12H,2-5,7-9H2,1H3.
What are the key properties of 3-[ethyl(piperidin-3-yl)amino]propanenitrile?
3-[ethyl(piperidin-3-yl)amino]propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-3-yl)amino]propanenitrile is sourced from PubChem (CID 63636952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).