4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C18H32N2O — CID 81012549

IUPAC4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1c(C)cnc(CC(C)C(C)CNCC(C)C)c1C
InChIInChI=1S/C18H32N2O/c1-12(2)9-19-10-14(4)13(3)8-17-16(6)18(21-7)15(5)11-20-17/h11-14,19H,8-10H2,1-7H3
InChIKeyDBYCHZZRRFTYTG-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.77
Rot. Bonds8

About 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81012549) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81012549
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1c(C)cnc(CC(C)C(C)CNCC(C)C)c1C
InChIInChI=1S/C18H32N2O/c1-12(2)9-19-10-14(4)13(3)8-17-16(6)18(21-7)15(5)11-20-17/h11-14,19H,8-10H2,1-7H3
InChIKeyDBYCHZZRRFTYTG-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine with MolForge

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Related Compounds

N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025589
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
2-(3-bromo-2-methyl-3-phenylpropyl)-4-methoxy-3,5-dimethylpyridine
CID 104846487
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
CID 115788139
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 81012549) is 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is COc1c(C)cnc(CC(C)C(C)CNCC(C)C)c1C.
What is the InChIKey of 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is DBYCHZZRRFTYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-12(2)9-19-10-14(4)13(3)8-17-16(6)18(21-7)15(5)11-20-17/h11-14,19H,8-10H2,1-7H3.
What are the key properties of 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81012549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).