[1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine

C11H20N4O — CID 107040794

IUPAC[1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCn1cc(COC2(CN)CCCCC2)nn1
InChIInChI=1S/C11H20N4O/c1-15-7-10(13-14-15)8-16-11(9-12)5-3-2-4-6-11/h7H,2-6,8-9,12H2,1H3
InChIKeyCMVYRFFUUKFKFO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds4

About [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine

[1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (PubChem CID 107040794) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
PubChem CID107040794
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCn1cc(COC2(CN)CCCCC2)nn1
InChIInChI=1S/C11H20N4O/c1-15-7-10(13-14-15)8-16-11(9-12)5-3-2-4-6-11/h7H,2-6,8-9,12H2,1H3
InChIKeyCMVYRFFUUKFKFO-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (CID 107040794) is [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is Cn1cc(COC2(CN)CCCCC2)nn1.
What is the InChIKey of [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The InChIKey is CMVYRFFUUKFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-7-10(13-14-15)8-16-11(9-12)5-3-2-4-6-11/h7H,2-6,8-9,12H2,1H3.
What are the key properties of [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
[1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 107040794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).