N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H27BrN2O2 — CID 106667606

IUPACN-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCOc1ncc(Br)cc1CNCC(C)C
InChIInChI=1S/C16H27BrN2O2/c1-12(2)9-18-10-13-8-14(17)11-19-15(13)21-7-6-16(3,4)20-5/h8,11-12,18H,6-7,9-10H2,1-5H3
InChIKeyLSZGDYPELAFQCF-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.78
Rot. Bonds9

About N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106667606) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106667606
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC NameN-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCOc1ncc(Br)cc1CNCC(C)C
InChIInChI=1S/C16H27BrN2O2/c1-12(2)9-18-10-13-8-14(17)11-19-15(13)21-7-6-16(3,4)20-5/h8,11-12,18H,6-7,9-10H2,1-5H3
InChIKeyLSZGDYPELAFQCF-UHFFFAOYSA-N
XLogP3.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 103032782
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62297526
N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667621
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103032855
N-[(5-bromo-2-pyrazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294142
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63489661
N-[[4-[(3-methoxy-3-methylbutoxy)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 106668090
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-methylphenyl]methyl]ethanamine
CID 103032918

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106667606) is N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is COC(C)(C)CCOc1ncc(Br)cc1CNCC(C)C.
What is the InChIKey of N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LSZGDYPELAFQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-12(2)9-18-10-13-8-14(17)11-19-15(13)21-7-6-16(3,4)20-5/h8,11-12,18H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 359.31 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106667606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).