1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine

C11H20N4O — CID 107044435

IUPAC1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine
SMILESCn1cc(COCC2(N)CCCCC2)nn1
InChIInChI=1S/C11H20N4O/c1-15-7-10(13-14-15)8-16-9-11(12)5-3-2-4-6-11/h7H,2-6,8-9,12H2,1H3
InChIKeyUIGIPUTVQCQGRB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds4

About 1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine

1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine (PubChem CID 107044435) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine
PubChem CID107044435
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine
SMILESCn1cc(COCC2(N)CCCCC2)nn1
InChIInChI=1S/C11H20N4O/c1-15-7-10(13-14-15)8-16-9-11(12)5-3-2-4-6-11/h7H,2-6,8-9,12H2,1H3
InChIKeyUIGIPUTVQCQGRB-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)methoxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine (CID 107044435) is 1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine is Cn1cc(COCC2(N)CCCCC2)nn1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine?
The InChIKey is UIGIPUTVQCQGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-7-10(13-14-15)8-16-9-11(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)methoxymethyl]cyclohexan-1-amine?
1-[(1-methyltriazol-4-yl)methoxymethyl]cyclohexan-1-amine 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)methoxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 107044435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).