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

C16H26N2O2 — CID 62386548

IUPAC2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(OCC2CCOCC2)ccn1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)18-11-14-10-15(4-7-17-14)20-12-13-5-8-19-9-6-13/h4,7,10,13,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyYEVZLWQMBGHCKP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.78
Rot. Bonds5

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

2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62386548) 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)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62386548
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(OCC2CCOCC2)ccn1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)18-11-14-10-15(4-7-17-14)20-12-13-5-8-19-9-6-13/h4,7,10,13,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyYEVZLWQMBGHCKP-UHFFFAOYSA-N
XLogP2.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.78
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)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62386548) is 2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)(C)NCc1cc(OCC2CCOCC2)ccn1.
What is the InChIKey of 2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is YEVZLWQMBGHCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)18-11-14-10-15(4-7-17-14)20-12-13-5-8-19-9-6-13/h4,7,10,13,18H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[4-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.78, 5 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)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62386548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).