[1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine

C15H24N2O3 — CID 103171952

IUPAC[1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine
SMILESCOc1ccnc(COC2(CN)CCC(C)C2)c1OC
InChIInChI=1S/C15H24N2O3/c1-11-4-6-15(8-11,10-16)20-9-12-14(19-3)13(18-2)5-7-17-12/h5,7,11H,4,6,8-10,16H2,1-3H3
InChIKeyWGDCDXXDKBQUEH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.13
Rot. Bonds6

About [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine

[1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine (PubChem CID 103171952) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine
PubChem CID103171952
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine
SMILESCOc1ccnc(COC2(CN)CCC(C)C2)c1OC
InChIInChI=1S/C15H24N2O3/c1-11-4-6-15(8-11,10-16)20-9-12-14(19-3)13(18-2)5-7-17-12/h5,7,11H,4,6,8-10,16H2,1-3H3
InChIKeyWGDCDXXDKBQUEH-UHFFFAOYSA-N
XLogP2.13
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine (CID 103171952) is [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine is COc1ccnc(COC2(CN)CCC(C)C2)c1OC.
What is the InChIKey of [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine?
The InChIKey is WGDCDXXDKBQUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-4-6-15(8-11,10-16)20-9-12-14(19-3)13(18-2)5-7-17-12/h5,7,11H,4,6,8-10,16H2,1-3H3.
What are the key properties of [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine?
[1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine has a molecular weight of 280.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 103171952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).