3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile

C11H21N3 — CID 22972976

IUPAC3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile
SMILESCN1CCCC(C#N)(NC(C)(C)C)C1
InChIInChI=1S/C11H21N3/c1-10(2,3)13-11(8-12)6-5-7-14(4)9-11/h13H,5-7,9H2,1-4H3
InChIKeyQXEXACFBJONWRF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds1

About 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile

3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile (PubChem CID 22972976) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile
PubChem CID22972976
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile
SMILESCN1CCCC(C#N)(NC(C)(C)C)C1
InChIInChI=1S/C11H21N3/c1-10(2,3)13-11(8-12)6-5-7-14(4)9-11/h13H,5-7,9H2,1-4H3
InChIKeyQXEXACFBJONWRF-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 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile?
The IUPAC name of 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile (CID 22972976) is 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile?
The canonical SMILES for 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile is CN1CCCC(C#N)(NC(C)(C)C)C1.
What is the InChIKey of 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile?
The InChIKey is QXEXACFBJONWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2,3)13-11(8-12)6-5-7-14(4)9-11/h13H,5-7,9H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile?
3-(tert-butylamino)-1-methylpiperidine-3-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 3-(tert-butylamino)-1-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 22972976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).