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

C16H28N2O — CID 54891204

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ncc(C)c(OC)c1C)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-11-10-18-13(12(2)15(11)19-7)8-9-14(17-6)16(3,4)5/h10,14,17H,8-9H2,1-7H3
InChIKeyCUAGLASQNGTVOY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.27
Rot. Bonds5

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

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine (PubChem CID 54891204) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine
PubChem CID54891204
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ncc(C)c(OC)c1C)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-11-10-18-13(12(2)15(11)19-7)8-9-14(17-6)16(3,4)5/h10,14,17H,8-9H2,1-7H3
InChIKeyCUAGLASQNGTVOY-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine
CID 64665639
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949908
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
CID 64503282
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601677
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
CID 115843906
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843909
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81012549

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine (CID 54891204) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine is CNC(CCc1ncc(C)c(OC)c1C)C(C)(C)C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is CUAGLASQNGTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-10-18-13(12(2)15(11)19-7)8-9-14(17-6)16(3,4)5/h10,14,17H,8-9H2,1-7H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 264.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 54891204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).