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

C15H24N2O2 — CID 116949180

IUPAC1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
SMILESCNC(CC(C)(C)N)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C15H24N2O2/c1-10-7-13-14(19-6-5-18-13)8-11(10)12(17-4)9-15(2,3)16/h7-8,12,17H,5-6,9,16H2,1-4H3
InChIKeyUVHDSMVJLZUBLM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds4

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

1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine (PubChem CID 116949180) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
PubChem CID116949180
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
SMILESCNC(CC(C)(C)N)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C15H24N2O2/c1-10-7-13-14(19-6-5-18-13)8-11(10)12(17-4)9-15(2,3)16/h7-8,12,17H,5-6,9,16H2,1-4H3
InChIKeyUVHDSMVJLZUBLM-UHFFFAOYSA-N
XLogP2.15
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116950251
N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116948739
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
2,2-dimethyl-3-(methylamino)-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile
CID 116955736
1-amino-2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 116942116
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893
1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
CID 116949152
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
CID 116953026
methoxy-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116947302
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 116855601

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine (CID 116949180) is 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine is CNC(CC(C)(C)N)c1cc2c(cc1C)OCCO2.
What is the InChIKey of 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine?
The InChIKey is UVHDSMVJLZUBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-13-14(19-6-5-18-13)8-11(10)12(17-4)9-15(2,3)16/h7-8,12,17H,5-6,9,16H2,1-4H3.
What are the key properties of 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine?
1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine is sourced from PubChem (CID 116949180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).