2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile

C14H27N3 — CID 113418574

IUPAC2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCC(CC)C1
InChIInChI=1S/C14H27N3/c1-4-13-7-10-17(11-13)9-6-8-14(3,12-15)16-5-2/h13,16H,4-11H2,1-3H3
InChIKeyCPEQFAWWZVGOCR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds7

About 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile

2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile (PubChem CID 113418574) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
PubChem CID113418574
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCC(CC)C1
InChIInChI=1S/C14H27N3/c1-4-13-7-10-17(11-13)9-6-8-14(3,12-15)16-5-2/h13,16H,4-11H2,1-3H3
InChIKeyCPEQFAWWZVGOCR-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 63973536
2-(ethylamino)-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 63171363
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701
5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 103537872
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 63165334
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 79918629
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
CID 64728298
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanenitrile
CID 79943625
5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 62331839
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 63150606

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile (CID 113418574) is 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile is CCNC(C)(C#N)CCCN1CCC(CC)C1.
What is the InChIKey of 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile?
The InChIKey is CPEQFAWWZVGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-13-7-10-17(11-13)9-6-8-14(3,12-15)16-5-2/h13,16H,4-11H2,1-3H3.
What are the key properties of 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile?
2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile is sourced from PubChem (CID 113418574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).