N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine

C17H24N2O — CID 62574394

IUPACN'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine
SMILESCCN(CCNCCOC)c1cccc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-19(13-11-18-12-14-20-2)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,18H,3,11-14H2,1-2H3
InChIKeySMEIVWKVKWQJSP-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.90
Rot. Bonds8

About N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine

N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine (PubChem CID 62574394) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine
PubChem CID62574394
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine
SMILESCCN(CCNCCOC)c1cccc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-19(13-11-18-12-14-20-2)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,18H,3,11-14H2,1-2H3
InChIKeySMEIVWKVKWQJSP-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
N'-ethyl-N'-naphthalen-1-yl-N-prop-2-ynylethane-1,2-diamine
CID 55085520
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995261
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
N-(2-azidoethyl)-N-ethylnaphthalen-1-amine
CID 63462242

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine (CID 62574394) is N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine is CCN(CCNCCOC)c1cccc2ccccc12.
What is the InChIKey of N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine?
The InChIKey is SMEIVWKVKWQJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-19(13-11-18-12-14-20-2)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,18H,3,11-14H2,1-2H3.
What are the key properties of N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine?
N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine is sourced from PubChem (CID 62574394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).