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

C14H22N2O2 — CID 116948739

IUPACN,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
SMILESCNC(c1cc2c(cc1C)OCCO2)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-6-12-13(18-5-4-17-12)7-11(9)14(16-3)10(2)8-15/h6-7,10,14,16H,4-5,8,15H2,1-3H3
InChIKeyIIIHRSPCPBFWMC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds4

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

N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine (PubChem CID 116948739) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
PubChem CID116948739
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
SMILESCNC(c1cc2c(cc1C)OCCO2)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-6-12-13(18-5-4-17-12)7-11(9)14(16-3)10(2)8-15/h6-7,10,14,16H,4-5,8,15H2,1-3H3
InChIKeyIIIHRSPCPBFWMC-UHFFFAOYSA-N
XLogP1.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N,2-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116948789
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 116949180
N'-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 116933893
2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116945494
3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116960192
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 82500943
2-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 116924968
2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butanenitrile
CID 116960617
8-methyl-7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 142578042

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine (CID 116948739) is N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine is CNC(c1cc2c(cc1C)OCCO2)C(C)CN.
What is the InChIKey of N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
The InChIKey is IIIHRSPCPBFWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-12-13(18-5-4-17-12)7-11(9)14(16-3)10(2)8-15/h6-7,10,14,16H,4-5,8,15H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine?
N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine has a molecular weight of 250.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 116948739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).