2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile

C14H27N3 — CID 63159349

IUPAC2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCC(C)(CC)CC1
InChIInChI=1S/C14H27N3/c1-4-14(3)7-10-17(11-8-14)9-6-13(12-15)16-5-2/h13,16H,4-11H2,1-3H3
InChIKeyJUDMTUQFWASBSG-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds6

About 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile

2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile (PubChem CID 63159349) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile
PubChem CID63159349
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCC(C)(CC)CC1
InChIInChI=1S/C14H27N3/c1-4-14(3)7-10-17(11-8-14)9-6-13(12-15)16-5-2/h13,16H,4-11H2,1-3H3
InChIKeyJUDMTUQFWASBSG-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile 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-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63159348
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
CID 107394626
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
CID 63029842
4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63159208
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63634010
2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
CID 63027552
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791854
2-(ethylamino)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
CID 66371946
2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile
CID 62732365
4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029843

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile (CID 63159349) is 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile is CCNC(C#N)CCN1CCC(C)(CC)CC1.
What is the InChIKey of 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile?
The InChIKey is JUDMTUQFWASBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-14(3)7-10-17(11-8-14)9-6-13(12-15)16-5-2/h13,16H,4-11H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile?
2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 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-ethyl-4-methylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 63159349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).