2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile

C13H25N3 — CID 20825450

IUPAC2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile
SMILESCC(C)(C)NC(C#N)CCN1CCCCC1
InChIInChI=1S/C13H25N3/c1-13(2,3)15-12(11-14)7-10-16-8-5-4-6-9-16/h12,15H,4-10H2,1-3H3
InChIKeyTZRIWWLSWFPZID-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds4

About 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile

2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile (PubChem CID 20825450) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile
PubChem CID20825450
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile
SMILESCC(C)(C)NC(C#N)CCN1CCCCC1
InChIInChI=1S/C13H25N3/c1-13(2,3)15-12(11-14)7-10-16-8-5-4-6-9-16/h12,15H,4-10H2,1-3H3
InChIKeyTZRIWWLSWFPZID-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile?
The IUPAC name of 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile (CID 20825450) is 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile?
The canonical SMILES for 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile is CC(C)(C)NC(C#N)CCN1CCCCC1.
What is the InChIKey of 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile?
The InChIKey is TZRIWWLSWFPZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,3)15-12(11-14)7-10-16-8-5-4-6-9-16/h12,15H,4-10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile?
2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-piperidin-1-ylbutanenitrile is sourced from PubChem (CID 20825450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).