2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine

C16H34N2 — CID 62256342

IUPAC2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNCC)CN1CCCC(C)C1C
InChIInChI=1S/C16H34N2/c1-6-10-16(5,12-17-7-2)13-18-11-8-9-14(3)15(18)4/h14-15,17H,6-13H2,1-5H3
InChIKeyZFKKACCXKHQPSL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine

2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine (PubChem CID 62256342) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
PubChem CID62256342
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNCC)CN1CCCC(C)C1C
InChIInChI=1S/C16H34N2/c1-6-10-16(5,12-17-7-2)13-18-11-8-9-14(3)15(18)4/h14-15,17H,6-13H2,1-5H3
InChIKeyZFKKACCXKHQPSL-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62257221
N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62277022
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
CID 62260314
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63494602
3-(2,3-dimethylpiperidin-1-yl)-N,2,2-trimethylpropan-1-amine
CID 62257220
2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62369813
4-(2,3-dimethylpiperidin-1-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66455577
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572
N-ethyl-2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentan-1-amine
CID 62256067
8-[2-(ethylaminomethyl)-2-methylpentyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236834
N-ethyl-2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylpentan-1-amine
CID 62258986
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 152872015

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine (CID 62256342) is 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine is CCCC(C)(CNCC)CN1CCCC(C)C1C.
What is the InChIKey of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
The InChIKey is ZFKKACCXKHQPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-10-16(5,12-17-7-2)13-18-11-8-9-14(3)15(18)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 62256342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).