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

C17H20N2O — CID 57289122

IUPACN-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
SMILESCN(C)CCONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C17H20N2O/c1-19(2)11-12-20-18-17-10-9-15-14-6-4-3-5-13(14)7-8-16(15)17/h3-8,10,18H,9,11-12H2,1-2H3
InChIKeyVZZXMNCLDZTHIL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.82
Rot. Bonds5

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

N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine (PubChem CID 57289122) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
PubChem CID57289122
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
SMILESCN(C)CCONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C17H20N2O/c1-19(2)11-12-20-18-17-10-9-15-14-6-4-3-5-13(14)7-8-16(15)17/h3-8,10,18H,9,11-12H2,1-2H3
InChIKeyVZZXMNCLDZTHIL-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.82
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

N-Ethoxy-2-naphthalenemethanamine
CID 53308535
(S)-O-ethyl-N-(1-(naphthalen-2-yl)ethyl)hydroxylamine
CID 163358795
5-(Isothiocyanatomethyl)-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
CID 57021248
N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
CID 57023701
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-(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
1-(1H-cyclopenta[a]naphthalen-3-ylamino)oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 57184102

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The IUPAC name of N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine (CID 57289122) is N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine.
What is the SMILES notation for N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The canonical SMILES for N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine is CN(C)CCONC1=CCc2c1ccc1ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The InChIKey is VZZXMNCLDZTHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)11-12-20-18-17-10-9-15-14-6-4-3-5-13(14)7-8-16(15)17/h3-8,10,18H,9,11-12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine?
N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine is sourced from PubChem (CID 57289122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).