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

C16H28N2O2 — CID 103032855

IUPACN-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCOc1ccc(CNCC(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-13(2)10-17-11-14-6-7-15(12-18-14)20-9-8-16(3,4)19-5/h6-7,12-13,17H,8-11H2,1-5H3
InChIKeyDLXYPHORSNGLEX-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.02
Rot. Bonds9

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

N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 103032855) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID103032855
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCOc1ccc(CNCC(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-13(2)10-17-11-14-6-7-15(12-18-14)20-9-8-16(3,4)19-5/h6-7,12-13,17H,8-11H2,1-5H3
InChIKeyDLXYPHORSNGLEX-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol
CID 113398862
N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794906
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794727
2-methyl-N-[[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79793929
N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667621
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
5-(3-methoxy-3-methylbutoxy)pyridine-2-carbaldehyde
CID 103033835
N-cyclopropyl-3-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79788776
N-[[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788995
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667606
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 103032855) is N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is COC(C)(C)CCOc1ccc(CNCC(C)C)nc1.
What is the InChIKey of N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DLXYPHORSNGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)10-17-11-14-6-7-15(12-18-14)20-9-8-16(3,4)19-5/h6-7,12-13,17H,8-11H2,1-5H3.
What are the key properties of N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103032855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).