3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine

C15H26N2O — CID 62531087

IUPAC3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H26N2O/c1-6-7-16-9-11(2)8-14-13(4)15(18-5)12(3)10-17-14/h10-11,16H,6-9H2,1-5H3
InChIKeyGPVAOXRLSLOSDY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.89
Rot. Bonds7

About 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine

3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 62531087) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
PubChem CID62531087
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H26N2O/c1-6-7-16-9-11(2)8-14-13(4)15(18-5)12(3)10-17-14/h10-11,16H,6-9H2,1-5H3
InChIKeyGPVAOXRLSLOSDY-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine (CID 62531087) is 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is GPVAOXRLSLOSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-7-16-9-11(2)8-14-13(4)15(18-5)12(3)10-17-14/h10-11,16H,6-9H2,1-5H3.
What are the key properties of 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine?
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 62531087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).