(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine

C15H29NO — CID 62383311

IUPAC(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)(OC2CCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-7-9-15(11-16,10-8-12)17-13-5-4-6-13/h12-13H,4-11,16H2,1-3H3
InChIKeyCREVFNYOSPIGRN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds3

About (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine

(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine (PubChem CID 62383311) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
PubChem CID62383311
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)(OC2CCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-7-9-15(11-16,10-8-12)17-13-5-4-6-13/h12-13H,4-11,16H2,1-3H3
InChIKeyCREVFNYOSPIGRN-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
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-cyclobutyloxycyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine (CID 62383311) is (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine is CC(C)(C)C1CCC(CN)(OC2CCC2)CC1.
What is the InChIKey of (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine?
The InChIKey is CREVFNYOSPIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)12-7-9-15(11-16,10-8-12)17-13-5-4-6-13/h12-13H,4-11,16H2,1-3H3.
What are the key properties of (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine?
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine is sourced from PubChem (CID 62383311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).