N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine

C29H34N2O2 — CID 132606817

IUPACN,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine
SMILESCOc1cc(CNCCCNCc2cc(OC)cc3c(C)cccc23)c2cccc(C)c2c1
InChIInChI=1S/C29H34N2O2/c1-20-8-5-10-26-22(14-24(32-3)16-28(20)26)18-30-12-7-13-31-19-23-15-25(33-4)17-29-21(2)9-6-11-27(23)29/h5-6,8-11,14-17,30-31H,7,12-13,18-19H2,1-4H3
InChIKeyQUXLVLGDYFUYOI-UHFFFAOYSA-N
MW442.60 g/mol
LogP5.90
Rot. Bonds10

About N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine

N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine (PubChem CID 132606817) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine
PubChem CID132606817
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine
SMILESCOc1cc(CNCCCNCc2cc(OC)cc3c(C)cccc23)c2cccc(C)c2c1
InChIInChI=1S/C29H34N2O2/c1-20-8-5-10-26-22(14-24(32-3)16-28(20)26)18-30-12-7-13-31-19-23-15-25(33-4)17-29-21(2)9-6-11-27(23)29/h5-6,8-11,14-17,30-31H,7,12-13,18-19H2,1-4H3
InChIKeyQUXLVLGDYFUYOI-UHFFFAOYSA-N
XLogP5.90
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 97179205
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
N'-[(2-fluoro-5-methoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 142265352
N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449750
N-[(2,3-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 60657619
N'-(phenanthren-9-ylmethyl)-N-[3-(phenanthren-9-ylmethylamino)propyl]propane-1,3-diamine;trihydrochloride
CID 170909086
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
3-methoxy-5-methylnaphthalene-1-carbonyl chloride
CID 11075375
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine (CID 132606817) is N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine is COc1cc(CNCCCNCc2cc(OC)cc3c(C)cccc23)c2cccc(C)c2c1.
What is the InChIKey of N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine?
The InChIKey is QUXLVLGDYFUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-20-8-5-10-26-22(14-24(32-3)16-28(20)26)18-30-12-7-13-31-19-23-15-25(33-4)17-29-21(2)9-6-11-27(23)29/h5-6,8-11,14-17,30-31H,7,12-13,18-19H2,1-4H3.
What are the key properties of N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine?
N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine has a molecular weight of 442.60 g/mol, XLogP of 5.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 132606817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).