2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile

C14H27N3 — CID 64697129

IUPAC2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile
SMILESCCNC(C)(C#N)CC(C)N1CCCCC1C
InChIInChI=1S/C14H27N3/c1-5-16-14(4,11-15)10-13(3)17-9-7-6-8-12(17)2/h12-13,16H,5-10H2,1-4H3
InChIKeyTXAPLWNSEQMEJI-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds5

About 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile

2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile (PubChem CID 64697129) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile
PubChem CID64697129
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile
SMILESCCNC(C)(C#N)CC(C)N1CCCCC1C
InChIInChI=1S/C14H27N3/c1-5-16-14(4,11-15)10-13(3)17-9-7-6-8-12(17)2/h12-13,16H,5-10H2,1-4H3
InChIKeyTXAPLWNSEQMEJI-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64697350
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
CID 64728298
2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile
CID 64727471
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64726920
2-methyl-4-(2-methylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 64792241
2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 64791235
2-(ethylamino)-2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pentanenitrile
CID 64726094
2-(2-methylpiperidin-1-yl)propan-1-ol
CID 44827710
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 64727317

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile (CID 64697129) is 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile is CCNC(C)(C#N)CC(C)N1CCCCC1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile?
The InChIKey is TXAPLWNSEQMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-16-14(4,11-15)10-13(3)17-9-7-6-8-12(17)2/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile?
2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 64697129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).