8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine

C17H26N2O2 — CID 61443700

IUPAC8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCC1CCCC(N(C)Cc2cc(N)cc3c2OCOC3)C1
InChIInChI=1S/C17H26N2O2/c1-12-4-3-5-16(6-12)19(2)9-13-7-15(18)8-14-10-20-11-21-17(13)14/h7-8,12,16H,3-6,9-11,18H2,1-2H3
InChIKeyMFEVIOJIMTVREK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.15
Rot. Bonds3

About 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine

8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine (PubChem CID 61443700) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine.

Molecular Properties

Compound Name8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine
PubChem CID61443700
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCC1CCCC(N(C)Cc2cc(N)cc3c2OCOC3)C1
InChIInChI=1S/C17H26N2O2/c1-12-4-3-5-16(6-12)19(2)9-13-7-15(18)8-14-10-20-11-21-17(13)14/h7-8,12,16H,3-6,9-11,18H2,1-2H3
InChIKeyMFEVIOJIMTVREK-UHFFFAOYSA-N
XLogP3.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The IUPAC name of 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine (CID 61443700) is 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine.
What is the SMILES notation for 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The canonical SMILES for 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine is CC1CCCC(N(C)Cc2cc(N)cc3c2OCOC3)C1.
What is the InChIKey of 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The InChIKey is MFEVIOJIMTVREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-4-3-5-16(6-12)19(2)9-13-7-15(18)8-14-10-20-11-21-17(13)14/h7-8,12,16H,3-6,9-11,18H2,1-2H3.
What are the key properties of 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine has a molecular weight of 290.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methyl-(3-methylcyclohexyl)amino]methyl]-4H-1,3-benzodioxin-6-amine is sourced from PubChem (CID 61443700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).