1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine

C18H22N2O — CID 54194555

IUPAC1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine
SMILESCCC(ON=C1CCc2c1ccc1ccccc21)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/h5-10,18H,4,11-12H2,1-3H3
InChIKeyPKWOPSIWSSYLRV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.80
Rot. Bonds4

About 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine

1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine (PubChem CID 54194555) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine
PubChem CID54194555
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine
SMILESCCC(ON=C1CCc2c1ccc1ccccc21)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/h5-10,18H,4,11-12H2,1-3H3
InChIKeyPKWOPSIWSSYLRV-UHFFFAOYSA-N
XLogP3.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine (CID 54194555) is 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine is CCC(ON=C1CCc2c1ccc1ccccc21)N(C)C.
What is the InChIKey of 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is PKWOPSIWSSYLRV-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/h5-10,18H,4,11-12H2,1-3H3.
What are the key properties of 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 54194555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).