2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine

C16H26N2O2 — CID 81250243

IUPAC2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnccc1OCC1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-13(2)9-18-11-15-10-17-6-3-16(15)20-12-14-4-7-19-8-5-14/h3,6,10,13-14,18H,4-5,7-9,11-12H2,1-2H3
InChIKeyDPXILVGFLRRORC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.63
Rot. Bonds7

About 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81250243) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81250243
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnccc1OCC1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-13(2)9-18-11-15-10-17-6-3-16(15)20-12-14-4-7-19-8-5-14/h3,6,10,13-14,18H,4-5,7-9,11-12H2,1-2H3
InChIKeyDPXILVGFLRRORC-UHFFFAOYSA-N
XLogP2.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81250243) is 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cnccc1OCC1CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is DPXILVGFLRRORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)9-18-11-15-10-17-6-3-16(15)20-12-14-4-7-19-8-5-14/h3,6,10,13-14,18H,4-5,7-9,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81250243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).