N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C15H26N2O2 — CID 103490454

IUPACN-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)Oc1ccncc1CNCC(C)C
InChIInChI=1S/C15H26N2O2/c1-5-18-11-13(4)19-15-6-7-16-9-14(15)10-17-8-12(2)3/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3
InChIKeyBAHYMQJULYGNRW-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.63
Rot. Bonds9

About N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 103490454) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID103490454
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)Oc1ccncc1CNCC(C)C
InChIInChI=1S/C15H26N2O2/c1-5-18-11-13(4)19-15-6-7-16-9-14(15)10-17-8-12(2)3/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3
InChIKeyBAHYMQJULYGNRW-UHFFFAOYSA-N
XLogP2.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955407
N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254183
N-[[4-[(5-bromo-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81250685
2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250459
N-[[4-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83138141
N-[[4-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254245
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250243
3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide
CID 103488300
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
2-methyl-N-[[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 81253660
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 103490454) is N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CCOCC(C)Oc1ccncc1CNCC(C)C.
What is the InChIKey of N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BAHYMQJULYGNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-18-11-13(4)19-15-6-7-16-9-14(15)10-17-8-12(2)3/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3.
What are the key properties of N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-ethoxypropan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103490454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).