1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

C14H23N3O2 — CID 114937259

IUPAC1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)C2CCOC2C)cn1
InChIInChI=1S/C14H23N3O2/c1-10-12(6-7-19-10)17(2)13(8-15)11-4-5-14(18-3)16-9-11/h4-5,9-10,12-13H,6-8,15H2,1-3H3
InChIKeyJPTNXALPIJTINI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.20
Rot. Bonds5

About 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 114937259) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID114937259
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)C2CCOC2C)cn1
InChIInChI=1S/C14H23N3O2/c1-10-12(6-7-19-10)17(2)13(8-15)11-4-5-14(18-3)16-9-11/h4-5,9-10,12-13H,6-8,15H2,1-3H3
InChIKeyJPTNXALPIJTINI-UHFFFAOYSA-N
XLogP1.20
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 114937259) is 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is COc1ccc(C(CN)N(C)C2CCOC2C)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is JPTNXALPIJTINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-12(6-7-19-10)17(2)13(8-15)11-4-5-14(18-3)16-9-11/h4-5,9-10,12-13H,6-8,15H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 265.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 114937259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).