2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine

C13H28N2 — CID 83053930

IUPAC2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2/c1-5-6-12(11-14-4)15-9-7-13(2,3)8-10-15/h12,14H,5-11H2,1-4H3
InChIKeyCPUAJCDPUQZCND-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine

2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine (PubChem CID 83053930) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine
PubChem CID83053930
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CCC(C)(C)CC1
InChIInChI=1S/C13H28N2/c1-5-6-12(11-14-4)15-9-7-13(2,3)8-10-15/h12,14H,5-11H2,1-4H3
InChIKeyCPUAJCDPUQZCND-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 83054458
N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 83054777
N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 83054505
N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413301
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylpentan-1-amine
CID 83054809
2-(4,4-dimethylpiperidin-1-yl)hexan-1-amine
CID 62937913
N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
CID 83054955
2-(3,3-dimethylmorpholin-4-yl)-N-methylpentan-1-amine
CID 83053918
3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine
CID 65281323
N-methyl-2-(2-methylpiperidin-1-yl)pentan-1-amine
CID 83043313
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine (CID 83053930) is 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine is CCCC(CNC)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine?
The InChIKey is CPUAJCDPUQZCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-12(11-14-4)15-9-7-13(2,3)8-10-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 83053930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).