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

C13H24N4O — CID 107040800

IUPAC[4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCc2cn(C)nn2)CC1
InChIInChI=1S/C13H24N4O/c1-3-11-4-6-13(10-14,7-5-11)18-9-12-8-17(2)16-15-12/h8,11H,3-7,9-10,14H2,1-2H3
InChIKeyDDVVZWDYZBWDJE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.63
Rot. Bonds5

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

[4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (PubChem CID 107040800) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
PubChem CID107040800
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCc2cn(C)nn2)CC1
InChIInChI=1S/C13H24N4O/c1-3-11-4-6-13(10-14,7-5-11)18-9-12-8-17(2)16-15-12/h8,11H,3-7,9-10,14H2,1-2H3
InChIKeyDDVVZWDYZBWDJE-UHFFFAOYSA-N
XLogP1.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (CID 107040800) is [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is CCC1CCC(CN)(OCc2cn(C)nn2)CC1.
What is the InChIKey of [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The InChIKey is DDVVZWDYZBWDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-11-4-6-13(10-14,7-5-11)18-9-12-8-17(2)16-15-12/h8,11H,3-7,9-10,14H2,1-2H3.
What are the key properties of [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
[4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 107040800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).