1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine

C15H24N2O2 — CID 116905628

IUPAC1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
SMILESCc1cc2c(cc1C(CCC(C)N)N(C)C)OCO2
InChIInChI=1S/C15H24N2O2/c1-10-7-14-15(19-9-18-14)8-12(10)13(17(3)4)6-5-11(2)16/h7-8,11,13H,5-6,9,16H2,1-4H3
InChIKeyULJMYLUGSLLSFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.45
Rot. Bonds5

About 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine

1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine (PubChem CID 116905628) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
PubChem CID116905628
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
SMILESCc1cc2c(cc1C(CCC(C)N)N(C)C)OCO2
InChIInChI=1S/C15H24N2O2/c1-10-7-14-15(19-9-18-14)8-12(10)13(17(3)4)6-5-11(2)16/h7-8,11,13H,5-6,9,16H2,1-4H3
InChIKeyULJMYLUGSLLSFI-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
CID 116830345
1-N-methyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115196459
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
N,2-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116948789
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211
4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
CID 115156732
1-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propane-1,2-diamine
CID 115196599

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine (CID 116905628) is 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine is Cc1cc2c(cc1C(CCC(C)N)N(C)C)OCO2.
What is the InChIKey of 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
The InChIKey is ULJMYLUGSLLSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-14-15(19-9-18-14)8-12(10)13(17(3)4)6-5-11(2)16/h7-8,11,13H,5-6,9,16H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine is sourced from PubChem (CID 116905628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).