1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C13H20N2O — CID 81402259

IUPAC1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCOCC(N[C@@H](C)c1ccccn1)C1CC1
InChIInChI=1S/C13H20N2O/c1-10(12-5-3-4-8-14-12)15-13(9-16-2)11-6-7-11/h3-5,8,10-11,13,15H,6-7,9H2,1-2H3/t10-,13?/m0/s1
InChIKeyPMFGMMMBXSKTKY-NKUHCKNESA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds6

About 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 81402259) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID81402259
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCOCC(N[C@@H](C)c1ccccn1)C1CC1
InChIInChI=1S/C13H20N2O/c1-10(12-5-3-4-8-14-12)15-13(9-16-2)11-6-7-11/h3-5,8,10-11,13,15H,6-7,9H2,1-2H3/t10-,13?/m0/s1
InChIKeyPMFGMMMBXSKTKY-NKUHCKNESA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
1-cyclopropyl-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]ethanamine
CID 81370901
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348
3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 104865186
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 103178569
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 81402259) is 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is COCC(N[C@@H](C)c1ccccn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is PMFGMMMBXSKTKY-NKUHCKNESA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(12-5-3-4-8-14-12)15-13(9-16-2)11-6-7-11/h3-5,8,10-11,13,15H,6-7,9H2,1-2H3/t10-,13?/m0/s1.
What are the key properties of 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 81402259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).