3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine

C13H22N2O — CID 63155921

IUPAC3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2O/c1-4-8-14-13(7-9-16-3)12-6-5-11(2)15-10-12/h5-6,10,13-14H,4,7-9H2,1-3H3
InChIKeyBTKMNWXHWFFKBM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds7

About 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine

3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine (PubChem CID 63155921) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
PubChem CID63155921
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2O/c1-4-8-14-13(7-9-16-3)12-6-5-11(2)15-10-12/h5-6,10,13-14H,4,7-9H2,1-3H3
InChIKeyBTKMNWXHWFFKBM-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
3-(2-methoxyethoxy)-N-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 102928103
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
[3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propyl]hydrazine
CID 102929761
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 79198511
N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103546727
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine (CID 63155921) is 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine is CCCNC(CCOC)c1ccc(C)nc1.
What is the InChIKey of 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is BTKMNWXHWFFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-8-14-13(7-9-16-3)12-6-5-11(2)15-10-12/h5-6,10,13-14H,4,7-9H2,1-3H3.
What are the key properties of 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine?
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 63155921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).