2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine

C15H21N3O — CID 79890340

IUPAC2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
SMILESCN(CC1CCCCC1)c1nc2cc(N)ccc2o1
InChIInChI=1S/C15H21N3O/c1-18(10-11-5-3-2-4-6-11)15-17-13-9-12(16)7-8-14(13)19-15/h7-9,11H,2-6,10,16H2,1H3
InChIKeyKCNLSSDWNILCMV-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.43
Rot. Bonds3

About 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine

2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine (PubChem CID 79890340) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
PubChem CID79890340
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
SMILESCN(CC1CCCCC1)c1nc2cc(N)ccc2o1
InChIInChI=1S/C15H21N3O/c1-18(10-11-5-3-2-4-6-11)15-17-13-9-12(16)7-8-14(13)19-15/h7-9,11H,2-6,10,16H2,1H3
InChIKeyKCNLSSDWNILCMV-UHFFFAOYSA-N
XLogP3.43
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79892463
2-N-(cyclobutylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79893302
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-benzoxazole-2,5-diamine;hydrochloride
CID 68773535
2-N-(4-ethylcyclohexyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890644
1-[(5-amino-1,3-benzoxazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79890676
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79893343
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890501
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-N-methyl-2-N-(3-methylbutan-2-yl)-1,3-benzoxazole-2,5-diamine
CID 79885359
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993
2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
CID 79884557
2-N-methyl-2-N-phenyl-1,3-benzoxazole-2,5-diamine
CID 79885344

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine (CID 79890340) is 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine is CN(CC1CCCCC1)c1nc2cc(N)ccc2o1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine?
The InChIKey is KCNLSSDWNILCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(10-11-5-3-2-4-6-11)15-17-13-9-12(16)7-8-14(13)19-15/h7-9,11H,2-6,10,16H2,1H3.
What are the key properties of 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine?
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine has a molecular weight of 259.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 79890340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).