N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine

C16H22N2O — CID 64732967

IUPACN-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCC(C)C(C)C3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-10-4-5-13(8-11(10)2)18-14-6-7-16-15(9-14)17-12(3)19-16/h6-7,9-11,13,18H,4-5,8H2,1-3H3
InChIKeyVRQZCDFEGQPTEL-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.37
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine

N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 64732967) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
PubChem CID64732967
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCC(C)C(C)C3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-10-4-5-13(8-11(10)2)18-14-6-7-16-15(9-14)17-12(3)19-16/h6-7,9-11,13,18H,4-5,8H2,1-3H3
InChIKeyVRQZCDFEGQPTEL-UHFFFAOYSA-N
XLogP4.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine
CID 64500181
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
CID 79724752
2-methyl-N-(thiolan-3-yl)-1,3-benzoxazol-5-amine
CID 43205250
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
CID 107427997
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
N-(2-methoxycyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
CID 43769788
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine (CID 64732967) is N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine is Cc1nc2cc(NC3CCC(C)C(C)C3)ccc2o1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is VRQZCDFEGQPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-4-5-13(8-11(10)2)18-14-6-7-16-15(9-14)17-12(3)19-16/h6-7,9-11,13,18H,4-5,8H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine?
N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 258.36 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 64732967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).