2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile

C13H25N3O — CID 64727482

IUPAC2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile
SMILESCCOC1CCN(C(C)CC(C)(N)C#N)CC1
InChIInChI=1S/C13H25N3O/c1-4-17-12-5-7-16(8-6-12)11(2)9-13(3,15)10-14/h11-12H,4-9,15H2,1-3H3
InChIKeyVEWIEQIPUYQFFY-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile

2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile (PubChem CID 64727482) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile
PubChem CID64727482
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile
SMILESCCOC1CCN(C(C)CC(C)(N)C#N)CC1
InChIInChI=1S/C13H25N3O/c1-4-17-12-5-7-16(8-6-12)11(2)9-13(3,15)10-14/h11-12H,4-9,15H2,1-3H3
InChIKeyVEWIEQIPUYQFFY-UHFFFAOYSA-N
XLogP1.51
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile 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

ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
CID 64711971
2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 64727681
2-amino-4-(4-tert-butylazepan-1-yl)-2-methylpentanenitrile
CID 64728336
4-(4-ethoxypiperidin-1-yl)pentan-2-amine
CID 64707608
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64827462
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710220
2-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentanenitrile
CID 64725681
2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725328
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727272
2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087654
3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile
CID 61220882

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile (CID 64727482) is 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile is CCOC1CCN(C(C)CC(C)(N)C#N)CC1.
What is the InChIKey of 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile?
The InChIKey is VEWIEQIPUYQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-17-12-5-7-16(8-6-12)11(2)9-13(3,15)10-14/h11-12H,4-9,15H2,1-3H3.
What are the key properties of 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile?
2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile is sourced from PubChem (CID 64727482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).