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

C18H22N2O — CID 57144933

IUPACN-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine
SMILESCCC(ONC1=CCc2c1ccc1ccccc21)N(C)C
InChIInChI=1S/C18H22N2O/c1-4-18(20(2)3)21-19-17-12-11-15-14-8-6-5-7-13(14)9-10-16(15)17/h5-10,12,18-19H,4,11H2,1-3H3
InChIKeyDRYAVAKASKYAAG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds5

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

N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine (PubChem CID 57144933) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine.

Molecular Properties

Compound NameN-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine
PubChem CID57144933
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine
SMILESCCC(ONC1=CCc2c1ccc1ccccc21)N(C)C
InChIInChI=1S/C18H22N2O/c1-4-18(20(2)3)21-19-17-12-11-15-14-8-6-5-7-13(14)9-10-16(15)17/h5-10,12,18-19H,4,11H2,1-3H3
InChIKeyDRYAVAKASKYAAG-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The IUPAC name of N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine (CID 57144933) is N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine.
What is the SMILES notation for N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The canonical SMILES for N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine is CCC(ONC1=CCc2c1ccc1ccccc21)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine?
The InChIKey is DRYAVAKASKYAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-18(20(2)3)21-19-17-12-11-15-14-8-6-5-7-13(14)9-10-16(15)17/h5-10,12,18-19H,4,11H2,1-3H3.
What are the key properties of N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine?
N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine has a molecular weight of 282.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine is sourced from PubChem (CID 57144933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).