5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile

C16H31N3 — CID 55157283

IUPAC5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CCCN1CCC(C)(C)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-16(5,13-17)7-6-10-19-11-8-15(3,4)9-12-19/h14,18H,6-12H2,1-5H3
InChIKeyLGEQRJSPBOZHSY-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds6

About 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile

5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 55157283) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID55157283
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CCCN1CCC(C)(C)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-16(5,13-17)7-6-10-19-11-8-15(3,4)9-12-19/h14,18H,6-12H2,1-5H3
InChIKeyLGEQRJSPBOZHSY-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 55157283) is 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is CC(C)NC(C)(C#N)CCCN1CCC(C)(C)CC1.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is LGEQRJSPBOZHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)18-16(5,13-17)7-6-10-19-11-8-15(3,4)9-12-19/h14,18H,6-12H2,1-5H3.
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 55157283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).