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

C14H22N2O2 — CID 115135785

IUPAC1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCc1cc2c(cc1N(C)CC(C)(C)N)OCCO2
InChIInChI=1S/C14H22N2O2/c1-10-7-12-13(18-6-5-17-12)8-11(10)16(4)9-14(2,3)15/h7-8H,5-6,9,15H2,1-4H3
InChIKeyLLTJQQPKUKGIHH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds3

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

1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (PubChem CID 115135785) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
PubChem CID115135785
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCc1cc2c(cc1N(C)CC(C)(C)N)OCCO2
InChIInChI=1S/C14H22N2O2/c1-10-7-12-13(18-6-5-17-12)8-11(10)16(4)9-14(2,3)15/h7-8H,5-6,9,15H2,1-4H3
InChIKeyLLTJQQPKUKGIHH-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115196418
1-N,3-dimethyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)butane-1,3-diamine
CID 115200549
1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135802
3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115133980
1-N-methyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115196459
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
2-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanoic acid
CID 115219345
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 116855601
N',2-dimethyl-N'-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 115198438
3-N-methyl-3-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2,3-triamine
CID 115119619
N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115208180
1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 116949180

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (CID 115135785) is 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine is Cc1cc2c(cc1N(C)CC(C)(C)N)OCCO2.
What is the InChIKey of 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The InChIKey is LLTJQQPKUKGIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-12-13(18-6-5-17-12)8-11(10)16(4)9-14(2,3)15/h7-8H,5-6,9,15H2,1-4H3.
What are the key properties of 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine is sourced from PubChem (CID 115135785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).