N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C16H26N2O3 — CID 60590100

IUPACN'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1cc(CNCC(C)(C)CN(C)C)cc2c1OCO2
InChIInChI=1S/C16H26N2O3/c1-16(2,10-18(3)4)9-17-8-12-6-13(19-5)15-14(7-12)20-11-21-15/h6-7,17H,8-11H2,1-5H3
InChIKeyLIGXGDRTUJYTLX-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds7

About N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 60590100) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID60590100
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1cc(CNCC(C)(C)CN(C)C)cc2c1OCO2
InChIInChI=1S/C16H26N2O3/c1-16(2,10-18(3)4)9-17-8-12-6-13(19-5)15-14(7-12)20-11-21-15/h6-7,17H,8-11H2,1-5H3
InChIKeyLIGXGDRTUJYTLX-UHFFFAOYSA-N
XLogP2.10
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine with MolForge

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Related Compounds

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460586
3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115745067
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
1-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 32669709
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine
CID 61166639
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 115581271
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-en-1-amine
CID 115572023
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43217055
N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60590203

Frequently Asked Questions

What is the IUPAC name of N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 60590100) is N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is COc1cc(CNCC(C)(C)CN(C)C)cc2c1OCO2.
What is the InChIKey of N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is LIGXGDRTUJYTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,10-18(3)4)9-17-8-12-6-13(19-5)15-14(7-12)20-11-21-15/h6-7,17H,8-11H2,1-5H3.
What are the key properties of N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 60590100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).