5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile

C15H29N3 — CID 62331839

IUPAC5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCC(C)CC1C
InChIInChI=1S/C15H29N3/c1-5-17-15(4,12-16)8-6-9-18-10-7-13(2)11-14(18)3/h13-14,17H,5-11H2,1-4H3
InChIKeyNQALBOKGCTYTKC-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds6

About 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile

5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 62331839) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
PubChem CID62331839
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCC(C)CC1C
InChIInChI=1S/C15H29N3/c1-5-17-15(4,12-16)8-6-9-18-10-7-13(2)11-14(18)3/h13-14,17H,5-11H2,1-4H3
InChIKeyNQALBOKGCTYTKC-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile (CID 62331839) is 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CCCN1CCC(C)CC1C.
What is the InChIKey of 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is NQALBOKGCTYTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-17-15(4,12-16)8-6-9-18-10-7-13(2)11-14(18)3/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 62331839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).