[3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine

C11H20N4O — CID 107040811

IUPAC[3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine
SMILESCC1CCC(CN)(OCc2cn(C)nn2)C1
InChIInChI=1S/C11H20N4O/c1-9-3-4-11(5-9,8-12)16-7-10-6-15(2)14-13-10/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyLDKGMTMTFOLXAR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.85
Rot. Bonds4

About [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine

[3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine (PubChem CID 107040811) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine
PubChem CID107040811
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine
SMILESCC1CCC(CN)(OCc2cn(C)nn2)C1
InChIInChI=1S/C11H20N4O/c1-9-3-4-11(5-9,8-12)16-7-10-6-15(2)14-13-10/h6,9H,3-5,7-8,12H2,1-2H3
InChIKeyLDKGMTMTFOLXAR-UHFFFAOYSA-N
XLogP0.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine (CID 107040811) is [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine is CC1CCC(CN)(OCc2cn(C)nn2)C1.
What is the InChIKey of [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
The InChIKey is LDKGMTMTFOLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-3-4-11(5-9,8-12)16-7-10-6-15(2)14-13-10/h6,9H,3-5,7-8,12H2,1-2H3.
What are the key properties of [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine?
[3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 107040811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).