N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine

C30H46N2O3 — CID 70065669

IUPACN'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine
SMILESCCCN(CCCCCCNCCc1ccc(OC)cc1)[C@H]1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C30H46N2O3/c1-5-21-32(26-13-16-28-25(23-26)12-17-29(34-3)30(28)35-4)22-9-7-6-8-19-31-20-18-24-10-14-27(33-2)15-11-24/h10-12,14-15,17,26,31H,5-9,13,16,18-23H2,1-4H3/t26-/m0/s1
InChIKeyPFDJCMPXTVPLTH-SANMLTNESA-N
MW482.71 g/mol
LogP5.67
Rot. Bonds16

About N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine

N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine (PubChem CID 70065669) has the molecular formula C30H46N2O3 and a molecular weight of 482.71 g/mol. Its IUPAC name is N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine
PubChem CID70065669
Molecular FormulaC30H46N2O3
Molecular Weight482.71 g/mol
Exact Mass482.35
IUPAC NameN'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine
SMILESCCCN(CCCCCCNCCc1ccc(OC)cc1)[C@H]1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C30H46N2O3/c1-5-21-32(26-13-16-28-25(23-26)12-17-29(34-3)30(28)35-4)22-9-7-6-8-19-31-20-18-24-10-14-27(33-2)15-11-24/h10-12,14-15,17,26,31H,5-9,13,16,18-23H2,1-4H3/t26-/m0/s1
InChIKeyPFDJCMPXTVPLTH-SANMLTNESA-N
XLogP5.67
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.71
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine 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

N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-propylhexane-1,6-diamine
CID 22878023
N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(3-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine;dihydrochloride
CID 70065567
N-[3-(3,4-dimethoxyphenyl)propyl]-N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-propylhexane-1,6-diamine
CID 22878060
N'-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N'-propyl-N-(2-thiophen-3-ylethyl)hexane-1,6-diamine;dihydrochloride
CID 18925361
2-chloro-4-[2-[6-[[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexylamino]ethyl]phenol
CID 22878010
4-[2-[6-[[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexylamino]ethyl]-2-nitrophenol
CID 22878026
5-[2-[6-[[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexylamino]ethyl]-1,2-oxazol-3-one
CID 22885427
1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine
CID 67716680
6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
CID 23224897
(6S)-6-[6-[2-(4-aminophenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877949
N'-(5,6-dimethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[2-(4-methylsulfonylphenyl)ethyl]-N'-propylhexane-1,6-diamine
CID 23224895
(6S)-6-[6-[3-(4-hydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877973

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine?
The IUPAC name of N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine (CID 70065669) is N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine.
What is the SMILES notation for N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine?
The canonical SMILES for N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine is CCCN(CCCCCCNCCc1ccc(OC)cc1)[C@H]1CCc2c(ccc(OC)c2OC)C1.
What is the InChIKey of N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine?
The InChIKey is PFDJCMPXTVPLTH-SANMLTNESA-N. The full InChI is InChI=1S/C30H46N2O3/c1-5-21-32(26-13-16-28-25(23-26)12-17-29(34-3)30(28)35-4)22-9-7-6-8-19-31-20-18-24-10-14-27(33-2)15-11-24/h10-12,14-15,17,26,31H,5-9,13,16,18-23H2,1-4H3/t26-/m0/s1.
What are the key properties of N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine?
N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine has a molecular weight of 482.71 g/mol, XLogP of 5.67, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine is sourced from PubChem (CID 70065669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).