2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine

C14H23N3O2 — CID 82834992

IUPAC2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCC1CCC(C)O1
InChIInChI=1S/C14H23N3O2/c1-10-5-6-11(19-10)9-16-13-12(17(2)3)7-8-15-14(13)18-4/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyVNFFNNJRBIMGFY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.14
Rot. Bonds5

About 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine

2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine (PubChem CID 82834992) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
PubChem CID82834992
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCC1CCC(C)O1
InChIInChI=1S/C14H23N3O2/c1-10-5-6-11(19-10)9-16-13-12(17(2)3)7-8-15-14(13)18-4/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyVNFFNNJRBIMGFY-UHFFFAOYSA-N
XLogP2.14
TPSA46.62 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine (CID 82834992) is 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine is COc1nccc(N(C)C)c1NCC1CCC(C)O1.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
The InChIKey is VNFFNNJRBIMGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-6-11(19-10)9-16-13-12(17(2)3)7-8-15-14(13)18-4/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 82834992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).