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

C15H28N4O — CID 107040805

IUPAC[4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCn1cc(COC2(CN)CCC(C(C)(C)C)CC2)nn1
InChIInChI=1S/C15H28N4O/c1-14(2,3)12-5-7-15(11-16,8-6-12)20-10-13-9-19(4)18-17-13/h9,12H,5-8,10-11,16H2,1-4H3
InChIKeyPPWRAKUTFXJJDA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.27
Rot. Bonds4

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

[4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (PubChem CID 107040805) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
PubChem CID107040805
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name[4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine
SMILESCn1cc(COC2(CN)CCC(C(C)(C)C)CC2)nn1
InChIInChI=1S/C15H28N4O/c1-14(2,3)12-5-7-15(11-16,8-6-12)20-10-13-9-19(4)18-17-13/h9,12H,5-8,10-11,16H2,1-4H3
InChIKeyPPWRAKUTFXJJDA-UHFFFAOYSA-N
XLogP2.27
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine (CID 107040805) is [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is Cn1cc(COC2(CN)CCC(C(C)(C)C)CC2)nn1.
What is the InChIKey of [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
The InChIKey is PPWRAKUTFXJJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-14(2,3)12-5-7-15(11-16,8-6-12)20-10-13-9-19(4)18-17-13/h9,12H,5-8,10-11,16H2,1-4H3.
What are the key properties of [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine?
[4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[(1-methyltriazol-4-yl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 107040805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).