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

C17H24N2O — CID 117434056

IUPAC[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
SMILESCC(C)c1nc2cc(C3(CN)CCCCC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-12(2)16-19-14-10-13(6-7-15(14)20-16)17(11-18)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3
InChIKeyXQIBACWGXKMNMU-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.11
Rot. Bonds3

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

[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine (PubChem CID 117434056) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
PubChem CID117434056
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
SMILESCC(C)c1nc2cc(C3(CN)CCCCC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-12(2)16-19-14-10-13(6-7-15(14)20-16)17(11-18)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3
InChIKeyXQIBACWGXKMNMU-UHFFFAOYSA-N
XLogP4.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine
CID 117399850
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117462140
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
CID 117434048
[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117360718
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
CID 83888273
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine
CID 117424911
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
5-(bromomethyl)-2-propan-2-yl-1,3-benzoxazole
CID 15662276
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
CID 117482514

Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine (CID 117434056) is [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine is CC(C)c1nc2cc(C3(CN)CCCCC3)ccc2o1.
What is the InChIKey of [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
The InChIKey is XQIBACWGXKMNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)16-19-14-10-13(6-7-15(14)20-16)17(11-18)8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine?
[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117434056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).