2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine

C10H20N2 — CID 138507133

IUPAC2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine
SMILESC=C[C@H]1CCCN(CCN)[C@@H]1C
InChIInChI=1S/C10H20N2/c1-3-10-5-4-7-12(8-6-11)9(10)2/h3,9-10H,1,4-8,11H2,2H3/t9-,10+/m1/s1
InChIKeyVUPJXRAUQLIODY-ZJUUUORDSA-N
MW168.28 g/mol
LogP1.23
Rot. Bonds3

About 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine

2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine (PubChem CID 138507133) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine
PubChem CID138507133
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine
SMILESC=C[C@H]1CCCN(CCN)[C@@H]1C
InChIInChI=1S/C10H20N2/c1-3-10-5-4-7-12(8-6-11)9(10)2/h3,9-10H,1,4-8,11H2,2H3/t9-,10+/m1/s1
InChIKeyVUPJXRAUQLIODY-ZJUUUORDSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
formic acid;2-(2-methoxypyrrolidin-1-yl)ethanamine
CID 174841555
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
(2S)-2-ethenyl-1-methylpyrrolidine;propane
CID 172577719
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
CID 107008015
1-butyl-2-ethenylpyrrolidine
CID 11332575
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908
2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine
CID 112518528

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine?
The IUPAC name of 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine (CID 138507133) is 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine is C=C[C@H]1CCCN(CCN)[C@@H]1C.
What is the InChIKey of 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine?
The InChIKey is VUPJXRAUQLIODY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-10-5-4-7-12(8-6-11)9(10)2/h3,9-10H,1,4-8,11H2,2H3/t9-,10+/m1/s1.
What are the key properties of 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine?
2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine has a molecular weight of 168.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-ethenyl-2-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 138507133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).