N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine

C19H24N2O — CID 57023701

IUPACN-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
SMILESCCN(CC)CCONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C19H24N2O/c1-3-21(4-2)13-14-22-20-19-12-11-17-16-8-6-5-7-15(16)9-10-18(17)19/h5-10,12,20H,3-4,11,13-14H2,1-2H3
InChIKeyVJQTZTGIKMNJFR-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine

N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine (PubChem CID 57023701) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
PubChem CID57023701
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
SMILESCCN(CC)CCONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C19H24N2O/c1-3-21(4-2)13-14-22-20-19-12-11-17-16-8-6-5-7-15(16)9-10-18(17)19/h5-10,12,20H,3-4,11,13-14H2,1-2H3
InChIKeyVJQTZTGIKMNJFR-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-O-ethyl-N-(1-(naphthalen-2-yl)ethyl)hydroxylamine
CID 163358795
2-Methoxyethyl-dimethyl-(naphthalen-2-ylmethyl)azanium
CID 53933405
5-(Isothiocyanatomethyl)-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
CID 57021248
1-(cyclohexylamino)-3-(1H-cyclopenta[a]naphthalen-3-ylamino)oxypropan-2-ol
CID 57022064
N-methoxy-1-naphthalen-2-ylethenamine
CID 57047007
N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine
CID 57051394
N-[2-(azepan-1-yl)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
CID 57081305
1-[2-(dimethylamino)ethylamino]-3-[(7-methyl-1H-cyclopenta[a]naphthalen-3-yl)amino]oxypropan-2-ol
CID 57109946
1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(cyclopropylamino)propan-2-ol
CID 57113906
1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-(propylamino)propan-2-ol
CID 57139175
N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine
CID 57144933
1-Hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
CID 57175145

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The IUPAC name of N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine (CID 57023701) is N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine.
What is the SMILES notation for N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The canonical SMILES for N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine is CCN(CC)CCONC1=CCc2c1ccc1ccccc21.
What is the InChIKey of N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The InChIKey is VJQTZTGIKMNJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-21(4-2)13-14-22-20-19-12-11-17-16-8-6-5-7-15(16)9-10-18(17)19/h5-10,12,20H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine has a molecular weight of 296.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine is sourced from PubChem (CID 57023701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).