2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile

C14H27N3 — CID 20825469

IUPAC2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile
SMILESCC(C)(C)NC(C#N)CCCN1CCCCC1
InChIInChI=1S/C14H27N3/c1-14(2,3)16-13(12-15)8-7-11-17-9-5-4-6-10-17/h13,16H,4-11H2,1-3H3
InChIKeyUHJWUFZXNJSQOD-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds5

About 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile

2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile (PubChem CID 20825469) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile
PubChem CID20825469
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile
SMILESCC(C)(C)NC(C#N)CCCN1CCCCC1
InChIInChI=1S/C14H27N3/c1-14(2,3)16-13(12-15)8-7-11-17-9-5-4-6-10-17/h13,16H,4-11H2,1-3H3
InChIKeyUHJWUFZXNJSQOD-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

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile?
The IUPAC name of 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile (CID 20825469) is 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile?
The canonical SMILES for 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile is CC(C)(C)NC(C#N)CCCN1CCCCC1.
What is the InChIKey of 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile?
The InChIKey is UHJWUFZXNJSQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2,3)16-13(12-15)8-7-11-17-9-5-4-6-10-17/h13,16H,4-11H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile?
2-(tert-butylamino)-5-piperidin-1-ylpentanenitrile 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-(tert-butylamino)-5-piperidin-1-ylpentanenitrile is sourced from PubChem (CID 20825469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).