N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine

C12H26N2 — CID 83982939

IUPACN-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
SMILESCNCCC1CCCN(CC(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2)9-14-8-4-5-12(10-14)6-7-13-3/h11-13H,4-10H2,1-3H3
InChIKeyVJZLGPXGGMKOQS-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine

N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine (PubChem CID 83982939) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
PubChem CID83982939
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
SMILESCNCCC1CCCN(CC(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2)9-14-8-4-5-12(10-14)6-7-13-3/h11-13H,4-10H2,1-3H3
InChIKeyVJZLGPXGGMKOQS-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
CID 83982945
N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981099
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
CID 83963163
1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
CID 169241986
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine
CID 83981091
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
5-hydroxy-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxopyran-2-carboxamide
CID 56706311
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine (CID 83982939) is N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine is CNCCC1CCCN(CC(C)C)C1.
What is the InChIKey of N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine?
The InChIKey is VJZLGPXGGMKOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)9-14-8-4-5-12(10-14)6-7-13-3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine?
N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 83982939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).