6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

C16H24N2O2 — CID 61439556

IUPAC6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCC1CCC(N(C)c2cc3c(cc2N)OCCO3)CC1
InChIInChI=1S/C16H24N2O2/c1-11-3-5-12(6-4-11)18(2)14-10-16-15(9-13(14)17)19-7-8-20-16/h9-12H,3-8,17H2,1-2H3
InChIKeyXDQKFTYORNIYER-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.05
Rot. Bonds2

About 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (PubChem CID 61439556) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
PubChem CID61439556
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCC1CCC(N(C)c2cc3c(cc2N)OCCO3)CC1
InChIInChI=1S/C16H24N2O2/c1-11-3-5-12(6-4-11)18(2)14-10-16-15(9-13(14)17)19-7-8-20-16/h9-12H,3-8,17H2,1-2H3
InChIKeyXDQKFTYORNIYER-UHFFFAOYSA-N
XLogP3.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine with MolForge

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
1-(2-Cyclohexyl-ethyl)-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine; hydrochloride
CID 10471851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341
2-[[2-(2-butan-2-ylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 4963837
1-(1,4 Benzodioxan-6-yl)-4-(4-fluorobenzyl)piperazine
CID 9797495
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(3-methoxy-phenyl)-piperidin-4-ylmethyl]-amine
CID 10832838
N-(7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3146107
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 2450519
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 3243870
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(4-methylcyclohexyl)carbonyl]leucinamide
CID 9549984
1-Cyclohexylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine; hydrochloride
CID 10087147
N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-2,3-dihydro-1,4-benzodioxin-6-amine hydrochloride
CID 16196332

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The IUPAC name of 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (CID 61439556) is 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The canonical SMILES for 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is CC1CCC(N(C)c2cc3c(cc2N)OCCO3)CC1.
What is the InChIKey of 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The InChIKey is XDQKFTYORNIYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-3-5-12(6-4-11)18(2)14-10-16-15(9-13(14)17)19-7-8-20-16/h9-12H,3-8,17H2,1-2H3.
What are the key properties of 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine has a molecular weight of 276.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(4-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is sourced from PubChem (CID 61439556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).