3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine

C15H21N3O — CID 82368074

IUPAC3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine
SMILESCN(C1=Nc2cc(N)ccc2OC1)C1CCCCC1
InChIInChI=1S/C15H21N3O/c1-18(12-5-3-2-4-6-12)15-10-19-14-8-7-11(16)9-13(14)17-15/h7-9,12H,2-6,10,16H2,1H3
InChIKeyQMDCCLSXMQGPEF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.96
Rot. Bonds1

About 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine

3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine (PubChem CID 82368074) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine
PubChem CID82368074
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine
SMILESCN(C1=Nc2cc(N)ccc2OC1)C1CCCCC1
InChIInChI=1S/C15H21N3O/c1-18(12-5-3-2-4-6-12)15-10-19-14-8-7-11(16)9-13(14)17-15/h7-9,12H,2-6,10,16H2,1H3
InChIKeyQMDCCLSXMQGPEF-UHFFFAOYSA-N
XLogP2.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-N-ethyl-3-N-phenyl-2H-1,4-benzoxazine-3,6-diamine
CID 82368087
3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine
CID 82368226
3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine
CID 82368065
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
CID 43613770
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
2-amino-5-[cycloheptyl(methyl)amino]benzamide
CID 61305211
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine
CID 82368208

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine?
The IUPAC name of 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine (CID 82368074) is 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine.
What is the SMILES notation for 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine?
The canonical SMILES for 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine is CN(C1=Nc2cc(N)ccc2OC1)C1CCCCC1.
What is the InChIKey of 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine?
The InChIKey is QMDCCLSXMQGPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(12-5-3-2-4-6-12)15-10-19-14-8-7-11(16)9-13(14)17-15/h7-9,12H,2-6,10,16H2,1H3.
What are the key properties of 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine?
3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine is sourced from PubChem (CID 82368074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).