2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile

C15H29N3 — CID 64728298

IUPAC2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N1CCC(CC)CC1
InChIInChI=1S/C15H29N3/c1-5-14-7-9-18(10-8-14)13(3)11-15(4,12-16)17-6-2/h13-14,17H,5-11H2,1-4H3
InChIKeyLDSMZOLEEGXTOV-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds6

About 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile

2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile (PubChem CID 64728298) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
PubChem CID64728298
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N1CCC(CC)CC1
InChIInChI=1S/C15H29N3/c1-5-14-7-9-18(10-8-14)13(3)11-15(4,12-16)17-6-2/h13-14,17H,5-11H2,1-4H3
InChIKeyLDSMZOLEEGXTOV-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64697350
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64726920
2-(ethylamino)-2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pentanenitrile
CID 64726094
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727501
2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile
CID 64697129
2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
CID 64809388
3-(4-ethylpiperidin-1-yl)butanenitrile
CID 61361415
2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
CID 113418574
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 64726697
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727272
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
CID 62413264

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile (CID 64728298) is 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N1CCC(CC)CC1.
What is the InChIKey of 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile?
The InChIKey is LDSMZOLEEGXTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-14-7-9-18(10-8-14)13(3)11-15(4,12-16)17-6-2/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile?
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile is sourced from PubChem (CID 64728298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).