[4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine

C18H35NO — CID 63475214

IUPAC[4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCC2CCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-17(2,3)16-9-11-18(14-19,12-10-16)20-13-15-7-5-4-6-8-15/h15-16H,4-14,19H2,1-3H3
InChIKeyYQHLKQXJSBDLDE-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.52
Rot. Bonds4

About [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine

[4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine (PubChem CID 63475214) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine
PubChem CID63475214
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name[4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCC2CCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-17(2,3)16-9-11-18(14-19,12-10-16)20-13-15-7-5-4-6-8-15/h15-16H,4-14,19H2,1-3H3
InChIKeyYQHLKQXJSBDLDE-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine (CID 63475214) is [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(OCC2CCCCC2)CC1.
What is the InChIKey of [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine?
The InChIKey is YQHLKQXJSBDLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,3)16-9-11-18(14-19,12-10-16)20-13-15-7-5-4-6-8-15/h15-16H,4-14,19H2,1-3H3.
What are the key properties of [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine?
[4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine has a molecular weight of 281.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 63475214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).