6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine

C13H21N3O — CID 83122840

IUPAC6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine
SMILESCOCCN(c1ccc([C@H](C)N)nc1)C1CC1
InChIInChI=1S/C13H21N3O/c1-10(14)13-6-5-12(9-15-13)16(7-8-17-2)11-3-4-11/h5-6,9-11H,3-4,7-8,14H2,1-2H3/t10-/m0/s1
InChIKeySFLRZZBNPSWAST-JTQLQIEISA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds6

About 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine

6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine (PubChem CID 83122840) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine
PubChem CID83122840
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine
SMILESCOCCN(c1ccc([C@H](C)N)nc1)C1CC1
InChIInChI=1S/C13H21N3O/c1-10(14)13-6-5-12(9-15-13)16(7-8-17-2)11-3-4-11/h5-6,9-11H,3-4,7-8,14H2,1-2H3/t10-/m0/s1
InChIKeySFLRZZBNPSWAST-JTQLQIEISA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminoethyl)-N-butyl-N-cyclopropylpyridin-3-amine
CID 83122501
N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123007
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(2-methoxyethyl)pyridin-3-amine
CID 115939392
6-(1-aminoethyl)-N-cyclopropyl-N-methylpyridin-3-amine
CID 83122472
6-(1-aminoethyl)-N-butan-2-yl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122259
6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
CID 83126972
6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 83123084
6-[(1S)-1-aminopropyl]-N-cyclopropyl-N-ethylpyridin-3-amine
CID 103936962
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
N-cyclopropyl-6-[1-(ethylamino)ethyl]-N-propylpyridin-3-amine
CID 83122891
6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine
CID 83122062
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine (CID 83122840) is 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine is COCCN(c1ccc([C@H](C)N)nc1)C1CC1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine?
The InChIKey is SFLRZZBNPSWAST-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)13-6-5-12(9-15-13)16(7-8-17-2)11-3-4-11/h5-6,9-11H,3-4,7-8,14H2,1-2H3/t10-/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine is sourced from PubChem (CID 83122840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).