2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine

C15H21N3O — CID 79892885

IUPAC2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine
SMILESCC1(C)CCCCC1Nc1nc2ccc(N)cc2o1
InChIInChI=1S/C15H21N3O/c1-15(2)8-4-3-5-13(15)18-14-17-11-7-6-10(16)9-12(11)19-14/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyAKQJWAJUAKFWHZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.79
Rot. Bonds2

About 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine

2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine (PubChem CID 79892885) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine
PubChem CID79892885
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine
SMILESCC1(C)CCCCC1Nc1nc2ccc(N)cc2o1
InChIInChI=1S/C15H21N3O/c1-15(2)8-4-3-5-13(15)18-14-17-11-7-6-10(16)9-12(11)19-14/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyAKQJWAJUAKFWHZ-UHFFFAOYSA-N
XLogP3.79
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylcyclohexyl)-6-nitro-1,3-benzoxazol-2-amine
CID 79881195
2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
CID 79861490
2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine
CID 79861402
2-N-(cyclohexylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79891086
2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-2,6-diamine
CID 79882848
2-N-(1-methylpiperidin-3-yl)-1,3-benzoxazole-2,6-diamine
CID 79893336
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 79892875
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-benzoxazole-2,6-diamine
CID 79893310
3-[(6-amino-1,3-benzoxazol-2-yl)amino]piperidin-2-one
CID 79893578

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine (CID 79892885) is 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine is CC1(C)CCCCC1Nc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine?
The InChIKey is AKQJWAJUAKFWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2)8-4-3-5-13(15)18-14-17-11-7-6-10(16)9-12(11)19-14/h6-7,9,13H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine?
2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine has a molecular weight of 259.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 79892885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).