2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile

C15H29N3 — CID 83062210

IUPAC2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCC(C)(C#N)NC
InChIInChI=1S/C15H29N3/c1-4-8-14-9-5-6-11-18(14)12-7-10-15(2,13-16)17-3/h14,17H,4-12H2,1-3H3
InChIKeyHUSFQAGDBQHOKG-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.92
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile

2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile (PubChem CID 83062210) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
PubChem CID83062210
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCC(C)(C#N)NC
InChIInChI=1S/C15H29N3/c1-4-8-14-9-5-6-11-18(14)12-7-10-15(2,13-16)17-3/h14,17H,4-12H2,1-3H3
InChIKeyHUSFQAGDBQHOKG-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 106803943
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
1-pentyl-2-propylpiperidine
CID 54429991
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
2-(ethylamino)-2-methyl-6-(2-propylpiperidin-1-yl)hexan-1-ol
CID 83056941
2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
CID 83045392
5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 62124864
2-(cyclopropylamino)-2-ethyl-5-(2-propylpiperidin-1-yl)pentan-1-ol
CID 106809824
N-methyl-6-(2-propylpiperidin-1-yl)hexan-3-amine
CID 106800080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile (CID 83062210) is 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile is CCCC1CCCCN1CCCC(C)(C#N)NC.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The InChIKey is HUSFQAGDBQHOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-8-14-9-5-6-11-18(14)12-7-10-15(2,13-16)17-3/h14,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 83062210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).