2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine

C14H23N3O — CID 65044066

IUPAC2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC1CCCC1C
InChIInChI=1S/C14H23N3O/c1-10-6-5-7-11(10)16-13-12(17(2)3)8-9-15-14(13)18-4/h8-11,16H,5-7H2,1-4H3
InChIKeyUINJOFLUIWMAAB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.76
Rot. Bonds4

About 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine

2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine (PubChem CID 65044066) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine
PubChem CID65044066
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC1CCCC1C
InChIInChI=1S/C14H23N3O/c1-10-6-5-7-11(10)16-13-12(17(2)3)8-9-15-14(13)18-4/h8-11,16H,5-7H2,1-4H3
InChIKeyUINJOFLUIWMAAB-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine (CID 65044066) is 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine is COc1nccc(N(C)C)c1NC1CCCC1C.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine?
The InChIKey is UINJOFLUIWMAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-6-5-7-11(10)16-13-12(17(2)3)8-9-15-14(13)18-4/h8-11,16H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine?
2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine is sourced from PubChem (CID 65044066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).