N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H28N2O2 — CID 106667621

IUPACN-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCOc1cnccc1CNCC(C)C
InChIInChI=1S/C16H28N2O2/c1-13(2)10-18-11-14-6-8-17-12-15(14)20-9-7-16(3,4)19-5/h6,8,12-13,18H,7,9-11H2,1-5H3
InChIKeyISVJSSURMLWGTN-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.02
Rot. Bonds9

About N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106667621) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106667621
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCOc1cnccc1CNCC(C)C
InChIInChI=1S/C16H28N2O2/c1-13(2)10-18-11-14-6-8-17-12-15(14)20-9-7-16(3,4)19-5/h6,8,12-13,18H,7,9-11H2,1-5H3
InChIKeyISVJSSURMLWGTN-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

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Related Compounds

1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 106667450
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 103032782
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667606
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075000
N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103032855
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106667621) is N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is COC(C)(C)CCOc1cnccc1CNCC(C)C.
What is the InChIKey of N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ISVJSSURMLWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)10-18-11-14-6-8-17-12-15(14)20-9-7-16(3,4)19-5/h6,8,12-13,18H,7,9-11H2,1-5H3.
What are the key properties of N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-methoxy-3-methylbutoxy)-4-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-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106667621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).