N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione

C18H22N2O2 — CID 160559905

IUPACN,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCCN(C)C.CN1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C13H9NO2.C5H13N/c1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16;1-4-5-6(2)3/h2-7H,1H3;4-5H2,1-3H3
InChIKeyQZEAJTOVQNRRDG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.02
Rot. Bonds2

About N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione

N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 160559905) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID160559905
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCCN(C)C.CN1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C13H9NO2.C5H13N/c1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16;1-4-5-6(2)3/h2-7H,1H3;4-5H2,1-3H3
InChIKeyQZEAJTOVQNRRDG-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione (CID 160559905) is N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione is CCCN(C)C.CN1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is QZEAJTOVQNRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2.C5H13N/c1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16;1-4-5-6(2)3/h2-7H,1H3;4-5H2,1-3H3.
What are the key properties of N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione?
N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 298.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 160559905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).