6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine

C12H21N3O — CID 83126972

IUPAC6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
SMILESCOCCCN(C)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C12H21N3O/c1-10(13)12-6-5-11(9-14-12)15(2)7-4-8-16-3/h5-6,9-10H,4,7-8,13H2,1-3H3/t10-/m1/s1
InChIKeyDMMBXPKGFFANKL-SNVBAGLBSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds6

About 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine

6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine (PubChem CID 83126972) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
PubChem CID83126972
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
SMILESCOCCCN(C)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C12H21N3O/c1-10(13)12-6-5-11(9-14-12)15(2)7-4-8-16-3/h5-6,9-10H,4,7-8,13H2,1-3H3/t10-/m1/s1
InChIKeyDMMBXPKGFFANKL-SNVBAGLBSA-N
XLogP1.57
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine (CID 83126972) is 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine is COCCCN(C)c1ccc([C@@H](C)N)nc1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine?
The InChIKey is DMMBXPKGFFANKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(13)12-6-5-11(9-14-12)15(2)7-4-8-16-3/h5-6,9-10H,4,7-8,13H2,1-3H3/t10-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine?
6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 83126972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).