4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile

C11H21N3 — CID 18337014

IUPAC4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C11H21N3/c1-10(2,3)13-11(9-12)5-7-14(4)8-6-11/h13H,5-8H2,1-4H3
InChIKeyDJYIKWSRKBBBMG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds1

About 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile

4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile (PubChem CID 18337014) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile
PubChem CID18337014
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NC(C)(C)C)CC1
InChIInChI=1S/C11H21N3/c1-10(2,3)13-11(9-12)5-7-14(4)8-6-11/h13H,5-8H2,1-4H3
InChIKeyDJYIKWSRKBBBMG-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile (CID 18337014) is 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile is CN1CCC(C#N)(NC(C)(C)C)CC1.
What is the InChIKey of 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile?
The InChIKey is DJYIKWSRKBBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2,3)13-11(9-12)5-7-14(4)8-6-11/h13H,5-8H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile?
4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 18337014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).