2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine

C11H22N2 — CID 118406336

IUPAC2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine
SMILESCN1CCC([C@H]2C[C@@H]2CCN)CC1
InChIInChI=1S/C11H22N2/c1-13-6-3-9(4-7-13)11-8-10(11)2-5-12/h9-11H,2-8,12H2,1H3/t10-,11+/m0/s1
InChIKeyDVSFFHOFZRYGOD-WDEREUQCSA-N
MW182.31 g/mol
LogP1.31
Rot. Bonds3

About 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine

2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine (PubChem CID 118406336) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine
PubChem CID118406336
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine
SMILESCN1CCC([C@H]2C[C@@H]2CCN)CC1
InChIInChI=1S/C11H22N2/c1-13-6-3-9(4-7-13)11-8-10(11)2-5-12/h9-11H,2-8,12H2,1H3/t10-,11+/m0/s1
InChIKeyDVSFFHOFZRYGOD-WDEREUQCSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine?
The IUPAC name of 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine (CID 118406336) is 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine is CN1CCC([C@H]2C[C@@H]2CCN)CC1.
What is the InChIKey of 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine?
The InChIKey is DVSFFHOFZRYGOD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2/c1-13-6-3-9(4-7-13)11-8-10(11)2-5-12/h9-11H,2-8,12H2,1H3/t10-,11+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine?
2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 118406336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).