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

C15H24N2O2 — CID 116950251

IUPAC1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
SMILESCNC(CCC(C)(C)N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C15H24N2O2/c1-10-7-13-14(19-9-18-13)8-11(10)12(17-4)5-6-15(2,3)16/h7-8,12,17H,5-6,9,16H2,1-4H3
InChIKeyKKAXJWHXOFAJKO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.50
Rot. Bonds5

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

1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine (PubChem CID 116950251) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
PubChem CID116950251
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
SMILESCNC(CCC(C)(C)N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C15H24N2O2/c1-10-7-13-14(19-9-18-13)8-11(10)12(17-4)5-6-15(2,3)16/h7-8,12,17H,5-6,9,16H2,1-4H3
InChIKeyKKAXJWHXOFAJKO-UHFFFAOYSA-N
XLogP2.50
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,4-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-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 116949180
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
CID 116953026
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
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)propane-1,3-diamine
CID 116932852
1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
CID 116830345
1-N,3-dimethyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)butane-1,3-diamine
CID 115200549
2,2-dimethyl-3-(methylamino)-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 116953267
1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116905628
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,4-diamine
CID 116934734
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine (CID 116950251) is 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine is CNC(CCC(C)(C)N)c1cc2c(cc1C)OCO2.
What is the InChIKey of 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
The InChIKey is KKAXJWHXOFAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-13-14(19-9-18-13)8-11(10)12(17-4)5-6-15(2,3)16/h7-8,12,17H,5-6,9,16H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine?
1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine is sourced from PubChem (CID 116950251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).