4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine

C16H28N2O2 — CID 103031708

IUPAC4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cccnc1OC
InChIInChI=1S/C16H28N2O2/c1-6-11-17-14(9-10-16(2,3)20-5)13-8-7-12-18-15(13)19-4/h7-8,12,14,17H,6,9-11H2,1-5H3
InChIKeyNTWDNSDFAZNMLK-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds9

About 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine

4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 103031708) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
PubChem CID103031708
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cccnc1OC
InChIInChI=1S/C16H28N2O2/c1-6-11-17-14(9-10-16(2,3)20-5)13-8-7-12-18-15(13)19-4/h7-8,12,14,17H,6,9-11H2,1-5H3
InChIKeyNTWDNSDFAZNMLK-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114314
1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
N-ethyl-1-(2-methoxy-3-pyridinyl)-3-phenylpropan-1-amine
CID 105094165
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine (CID 103031708) is 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1cccnc1OC.
What is the InChIKey of 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is NTWDNSDFAZNMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-11-17-14(9-10-16(2,3)20-5)13-8-7-12-18-15(13)19-4/h7-8,12,14,17H,6,9-11H2,1-5H3.
What are the key properties of 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine?
4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).