N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine

C17H30N2O2 — CID 106667444

IUPACN-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCCc1cc(CNC(C)C)cc(OCCC(C)(C)OC)n1
InChIInChI=1S/C17H30N2O2/c1-7-15-10-14(12-18-13(2)3)11-16(19-15)21-9-8-17(4,5)20-6/h10-11,13,18H,7-9,12H2,1-6H3
InChIKeyZWJBVBOOUKADNH-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.34
Rot. Bonds9

About N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 106667444) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID106667444
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCCc1cc(CNC(C)C)cc(OCCC(C)(C)OC)n1
InChIInChI=1S/C17H30N2O2/c1-7-15-10-14(12-18-13(2)3)11-16(19-15)21-9-8-17(4,5)20-6/h10-11,13,18H,7-9,12H2,1-6H3
InChIKeyZWJBVBOOUKADNH-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine
CID 106667487
N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740645
6-ethyl-N-propan-2-yl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 113381466
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
CID 106669036
[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine
CID 106667369
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 106667482
N-[[2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 104566462
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine
CID 114157939
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205411
N-[[2-(3-methoxy-3-methylbutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 103032811
N,N,6-triethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 113381270

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine (CID 106667444) is N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine is CCc1cc(CNC(C)C)cc(OCCC(C)(C)OC)n1.
What is the InChIKey of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZWJBVBOOUKADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-15-10-14(12-18-13(2)3)11-16(19-15)21-9-8-17(4,5)20-6/h10-11,13,18H,7-9,12H2,1-6H3.
What are the key properties of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 294.44 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 N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106667444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).