2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine

C15H22N2O2 — CID 115117806

IUPAC2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine
SMILESCc1cc2c(cc1NC1CCCCC1N)OCCO2
InChIInChI=1S/C15H22N2O2/c1-10-8-14-15(19-7-6-18-14)9-13(10)17-12-5-3-2-4-11(12)16/h8-9,11-12,17H,2-7,16H2,1H3
InChIKeyJGUZXPYGSKPFMN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.45
Rot. Bonds2

About 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine

2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine (PubChem CID 115117806) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine
PubChem CID115117806
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine
SMILESCc1cc2c(cc1NC1CCCCC1N)OCCO2
InChIInChI=1S/C15H22N2O2/c1-10-8-14-15(19-7-6-18-14)9-13(10)17-12-5-3-2-4-11(12)16/h8-9,11-12,17H,2-7,16H2,1H3
InChIKeyJGUZXPYGSKPFMN-UHFFFAOYSA-N
XLogP2.45
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine (CID 115117806) is 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine is Cc1cc2c(cc1NC1CCCCC1N)OCCO2.
What is the InChIKey of 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine?
The InChIKey is JGUZXPYGSKPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-14-15(19-7-6-18-14)9-13(10)17-12-5-3-2-4-11(12)16/h8-9,11-12,17H,2-7,16H2,1H3.
What are the key properties of 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine?
2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine has a molecular weight of 262.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115117806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).