2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile

C13H25N3 — CID 63027559

IUPAC2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile
SMILESCC(C)(C)C1CCN(CCC(N)C#N)CC1
InChIInChI=1S/C13H25N3/c1-13(2,3)11-4-7-16(8-5-11)9-6-12(15)10-14/h11-12H,4-9,15H2,1-3H3
InChIKeyQOULTWCMXDCSAO-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile

2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile (PubChem CID 63027559) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile
PubChem CID63027559
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile
SMILESCC(C)(C)C1CCN(CCC(N)C#N)CC1
InChIInChI=1S/C13H25N3/c1-13(2,3)11-4-7-16(8-5-11)9-6-12(15)10-14/h11-12H,4-9,15H2,1-3H3
InChIKeyQOULTWCMXDCSAO-UHFFFAOYSA-N
XLogP1.99
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(4-tert-butylpiperidin-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

2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile
CID 63027921
2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile
CID 114539222
2-amino-4-(3-ethylpiperidin-1-yl)butanenitrile
CID 63028493
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanenitrile
CID 63030266
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
3-(4-tert-butylpiperidin-1-yl)-2-(methylamino)propanenitrile
CID 62090564
CID 174080990
CID 174080990
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-aminobutanenitrile
CID 79943861
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
CID 63054348
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
2-amino-4-(1-methylpiperidin-4-yl)butanenitrile;ethane;molecular hydrogen
CID 142227898

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile (CID 63027559) is 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile is CC(C)(C)C1CCN(CCC(N)C#N)CC1.
What is the InChIKey of 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile?
The InChIKey is QOULTWCMXDCSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,3)11-4-7-16(8-5-11)9-6-12(15)10-14/h11-12H,4-9,15H2,1-3H3.
What are the key properties of 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile?
2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile has a molecular weight of 223.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 63027559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).