N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine

C35H44N4O6 — CID 22485487

IUPACN,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine
SMILESCOc1cc(-c2ccc(N(C)CC(C)(C)CN(C)c3ccc(-c4cc(OC)c(OC)c(OC)c4)nc3)cn2)cc(OC)c1OC
InChIInChI=1S/C35H44N4O6/c1-35(2,21-38(3)25-11-13-27(36-19-25)23-15-29(40-5)33(44-9)30(16-23)41-6)22-39(4)26-12-14-28(37-20-26)24-17-31(42-7)34(45-10)32(18-24)43-8/h11-20H,21-22H2,1-10H3
InChIKeyGMXDWDBKHJOYJI-UHFFFAOYSA-N
MW616.76 g/mol
LogP6.46
Rot. Bonds14

About N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine

N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine (PubChem CID 22485487) has the molecular formula C35H44N4O6 and a molecular weight of 616.76 g/mol. Its IUPAC name is N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine
PubChem CID22485487
Molecular FormulaC35H44N4O6
Molecular Weight616.76 g/mol
Exact Mass616.33
IUPAC NameN,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine
SMILESCOc1cc(-c2ccc(N(C)CC(C)(C)CN(C)c3ccc(-c4cc(OC)c(OC)c(OC)c4)nc3)cn2)cc(OC)c1OC
InChIInChI=1S/C35H44N4O6/c1-35(2,21-38(3)25-11-13-27(36-19-25)23-15-29(40-5)33(44-9)30(16-23)41-6)22-39(4)26-12-14-28(37-20-26)24-17-31(42-7)34(45-10)32(18-24)43-8/h11-20H,21-22H2,1-10H3
InChIKeyGMXDWDBKHJOYJI-UHFFFAOYSA-N
XLogP6.46
TPSA87.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine?
The IUPAC name of N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine (CID 22485487) is N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine is COc1cc(-c2ccc(N(C)CC(C)(C)CN(C)c3ccc(-c4cc(OC)c(OC)c(OC)c4)nc3)cn2)cc(OC)c1OC.
What is the InChIKey of N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine?
The InChIKey is GMXDWDBKHJOYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4O6/c1-35(2,21-38(3)25-11-13-27(36-19-25)23-15-29(40-5)33(44-9)30(16-23)41-6)22-39(4)26-12-14-28(37-20-26)24-17-31(42-7)34(45-10)32(18-24)43-8/h11-20H,21-22H2,1-10H3.
What are the key properties of N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine?
N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine has a molecular weight of 616.76 g/mol, XLogP of 6.46, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 22485487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).