N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine

C28H32N2O2 — CID 23154308

IUPACN,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc2cc(C(C)NCCNC(C)c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C28H32N2O2/c1-19(21-5-7-25-17-27(31-3)11-9-23(25)15-21)29-13-14-30-20(2)22-6-8-26-18-28(32-4)12-10-24(26)16-22/h5-12,15-20,29-30H,13-14H2,1-4H3
InChIKeyZIZAHCHKXDUVNK-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.01
Rot. Bonds9

About N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine

N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 23154308) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
PubChem CID23154308
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc2cc(C(C)NCCNC(C)c3ccc4cc(OC)ccc4c3)ccc2c1
InChIInChI=1S/C28H32N2O2/c1-19(21-5-7-25-17-27(31-3)11-9-23(25)15-21)29-13-14-30-20(2)22-6-8-26-18-28(32-4)12-10-24(26)16-22/h5-12,15-20,29-30H,13-14H2,1-4H3
InChIKeyZIZAHCHKXDUVNK-UHFFFAOYSA-N
XLogP6.01
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.01
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-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63982854
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
2-methoxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 115664040
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115663810
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43099095
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine (CID 23154308) is N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine is COc1ccc2cc(C(C)NCCNC(C)c3ccc4cc(OC)ccc4c3)ccc2c1.
What is the InChIKey of N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ZIZAHCHKXDUVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-19(21-5-7-25-17-27(31-3)11-9-23(25)15-21)29-13-14-30-20(2)22-6-8-26-18-28(32-4)12-10-24(26)16-22/h5-12,15-20,29-30H,13-14H2,1-4H3.
What are the key properties of N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine?
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 428.58 g/mol, XLogP of 6.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 23154308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).