N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine

C19H33N3O3 — CID 3567719

IUPACN'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine
SMILESCOc1cc(CN(CCCN(C)C)CCCN(C)C)cc2c1OCO2
InChIInChI=1S/C19H33N3O3/c1-20(2)8-6-10-22(11-7-9-21(3)4)14-16-12-17(23-5)19-18(13-16)24-15-25-19/h12-13H,6-11,14-15H2,1-5H3
InChIKeyLJKIXSQSEWIZPZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.13
Rot. Bonds11

About N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine

N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 3567719) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID3567719
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine
SMILESCOc1cc(CN(CCCN(C)C)CCCN(C)C)cc2c1OCO2
InChIInChI=1S/C19H33N3O3/c1-20(2)8-6-10-22(11-7-9-21(3)4)14-16-12-17(23-5)19-18(13-16)24-15-25-19/h12-13H,6-11,14-15H2,1-5H3
InChIKeyLJKIXSQSEWIZPZ-UHFFFAOYSA-N
XLogP2.13
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46997920
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117315797
4-(7-methoxy-1,3-benzodioxol-5-yl)butanal
CID 158241343
N',N'-diethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine
CID 115574436
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-en-1-amine
CID 115572023
N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60590100
2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propanedioic acid
CID 170895488
N-benzyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818419
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 115642853
4-methoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butan-1-amine
CID 115608350

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine (CID 3567719) is N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine is COc1cc(CN(CCCN(C)C)CCCN(C)C)cc2c1OCO2.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is LJKIXSQSEWIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-20(2)8-6-10-22(11-7-9-21(3)4)14-16-12-17(23-5)19-18(13-16)24-15-25-19/h12-13H,6-11,14-15H2,1-5H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine?
N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 351.49 g/mol, XLogP of 2.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 3567719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).