2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile

C13H25N3 — CID 114596282

IUPAC2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
SMILESCCNC(C#N)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H25N3/c1-5-15-13(7-14)9-16-8-10(2)6-11(3)12(16)4/h10-13,15H,5-6,8-9H2,1-4H3
InChIKeyJUKAHEPMZPAEIW-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.85
Rot. Bonds4

About 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile

2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile (PubChem CID 114596282) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
PubChem CID114596282
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
SMILESCCNC(C#N)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H25N3/c1-5-15-13(7-14)9-16-8-10(2)6-11(3)12(16)4/h10-13,15H,5-6,8-9H2,1-4H3
InChIKeyJUKAHEPMZPAEIW-UHFFFAOYSA-N
XLogP1.85
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
CID 114539184
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114592822
2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635760
1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 107505960
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
1-methoxy-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114593853
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile
CID 64746746
4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114593868

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile (CID 114596282) is 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile is CCNC(C#N)CN1CC(C)CC(C)C1C.
What is the InChIKey of 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile?
The InChIKey is JUKAHEPMZPAEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-15-13(7-14)9-16-8-10(2)6-11(3)12(16)4/h10-13,15H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile?
2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile has a molecular weight of 223.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 114596282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).