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

C12H22N4O — CID 107040796

IUPAC[4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCC1CCC(CN)(OCc2cn(C)nn2)CC1
InChIInChI=1S/C12H22N4O/c1-10-3-5-12(9-13,6-4-10)17-8-11-7-16(2)15-14-11/h7,10H,3-6,8-9,13H2,1-2H3
InChIKeyMIOOCNZXCVEYJO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.24
Rot. Bonds4

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

[4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (PubChem CID 107040796) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
PubChem CID107040796
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCC1CCC(CN)(OCc2cn(C)nn2)CC1
InChIInChI=1S/C12H22N4O/c1-10-3-5-12(9-13,6-4-10)17-8-11-7-16(2)15-14-11/h7,10H,3-6,8-9,13H2,1-2H3
InChIKeyMIOOCNZXCVEYJO-UHFFFAOYSA-N
XLogP1.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (CID 107040796) is [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is CC1CCC(CN)(OCc2cn(C)nn2)CC1.
What is the InChIKey of [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The InChIKey is MIOOCNZXCVEYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-3-5-12(9-13,6-4-10)17-8-11-7-16(2)15-14-11/h7,10H,3-6,8-9,13H2,1-2H3.
What are the key properties of [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
[4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 107040796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).