1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine

C13H22N2O3 — CID 79493128

IUPAC1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
SMILESCOc1c(C)cnc(CC(N)C(OC)OC)c1C
InChIInChI=1S/C13H22N2O3/c1-8-7-15-11(9(2)12(8)16-3)6-10(14)13(17-4)18-5/h7,10,13H,6,14H2,1-5H3
InChIKeyKSBWVVSNORGUNY-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.20
Rot. Bonds6

About 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine

1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine (PubChem CID 79493128) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
PubChem CID79493128
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
SMILESCOc1c(C)cnc(CC(N)C(OC)OC)c1C
InChIInChI=1S/C13H22N2O3/c1-8-7-15-11(9(2)12(8)16-3)6-10(14)13(17-4)18-5/h7,10,13H,6,14H2,1-5H3
InChIKeyKSBWVVSNORGUNY-UHFFFAOYSA-N
XLogP1.20
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
1-(5-chlorofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 106691804
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(1-methoxycyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 104610582

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine (CID 79493128) is 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine is COc1c(C)cnc(CC(N)C(OC)OC)c1C.
What is the InChIKey of 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
The InChIKey is KSBWVVSNORGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-7-15-11(9(2)12(8)16-3)6-10(14)13(17-4)18-5/h7,10,13H,6,14H2,1-5H3.
What are the key properties of 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine?
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 79493128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).