[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine

C18H26N2O — CID 117462140

IUPAC[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
SMILESCC(C)(C)c1nc2cc(C3(CN)CCCCC3)ccc2o1
InChIInChI=1S/C18H26N2O/c1-17(2,3)16-20-14-11-13(7-8-15(14)21-16)18(12-19)9-5-4-6-10-18/h7-8,11H,4-6,9-10,12,19H2,1-3H3
InChIKeyDNHHQYURRVNFSV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.29
Rot. Bonds2

About [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine

[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine (PubChem CID 117462140) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
PubChem CID117462140
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
SMILESCC(C)(C)c1nc2cc(C3(CN)CCCCC3)ccc2o1
InChIInChI=1S/C18H26N2O/c1-17(2,3)16-20-14-11-13(7-8-15(14)21-16)18(12-19)9-5-4-6-10-18/h7-8,11H,4-6,9-10,12,19H2,1-3H3
InChIKeyDNHHQYURRVNFSV-UHFFFAOYSA-N
XLogP4.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
CID 117434048
[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117434056
[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117360718
1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxylic acid
CID 117401713
[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
CID 117482514
[1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclohexyl]methanamine
CID 117487447
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
[1-(1-methylindol-5-yl)cyclohexyl]methanamine
CID 117358358

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine (CID 117462140) is [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine is CC(C)(C)c1nc2cc(C3(CN)CCCCC3)ccc2o1.
What is the InChIKey of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
The InChIKey is DNHHQYURRVNFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)16-20-14-11-13(7-8-15(14)21-16)18(12-19)9-5-4-6-10-18/h7-8,11H,4-6,9-10,12,19H2,1-3H3.
What are the key properties of [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117462140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).