5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine

C39H57NO6 — CID 57389908

IUPAC5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
SMILESCOc1ccc(CCCCCN(CCCCCc2ccc(OC)c(OC)c2)CCCCCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C39H57NO6/c1-41-34-22-19-31(28-37(34)44-4)16-10-7-13-25-40(26-14-8-11-17-32-20-23-35(42-2)38(29-32)45-5)27-15-9-12-18-33-21-24-36(43-3)39(30-33)46-6/h19-24,28-30H,7-18,25-27H2,1-6H3
InChIKeyUQCWVBAXEXNZDU-UHFFFAOYSA-N
MW635.89 g/mol
LogP8.58
Rot. Bonds24

About 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine

5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine (PubChem CID 57389908) has the molecular formula C39H57NO6 and a molecular weight of 635.89 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
PubChem CID57389908
Molecular FormulaC39H57NO6
Molecular Weight635.89 g/mol
Exact Mass635.42
IUPAC Name5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
SMILESCOc1ccc(CCCCCN(CCCCCc2ccc(OC)c(OC)c2)CCCCCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C39H57NO6/c1-41-34-22-19-31(28-37(34)44-4)16-10-7-13-25-40(26-14-8-11-17-32-20-23-35(42-2)38(29-32)45-5)27-15-9-12-18-33-21-24-36(43-3)39(30-33)46-6/h19-24,28-30H,7-18,25-27H2,1-6H3
InChIKeyUQCWVBAXEXNZDU-UHFFFAOYSA-N
XLogP8.58
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.89
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-prop-2-ynylprop-2-yn-1-amine
CID 146368826
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propan-1-amine
CID 127051482
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine (CID 57389908) is 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine is COc1ccc(CCCCCN(CCCCCc2ccc(OC)c(OC)c2)CCCCCc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine?
The InChIKey is UQCWVBAXEXNZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57NO6/c1-41-34-22-19-31(28-37(34)44-4)16-10-7-13-25-40(26-14-8-11-17-32-20-23-35(42-2)38(29-32)45-5)27-15-9-12-18-33-21-24-36(43-3)39(30-33)46-6/h19-24,28-30H,7-18,25-27H2,1-6H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine?
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine has a molecular weight of 635.89 g/mol, XLogP of 8.58, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine is sourced from PubChem (CID 57389908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).