1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione

C14H18N2O2 — CID 61387911

IUPAC1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
SMILESCCNCCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C14H18N2O2/c1-3-15-8-5-9-16-12-10(2)6-4-7-11(12)13(17)14(16)18/h4,6-7,15H,3,5,8-9H2,1-2H3
InChIKeyMHUHHKTVAZOJCE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.52
Rot. Bonds5

About 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione

1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione (PubChem CID 61387911) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
PubChem CID61387911
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
SMILESCCNCCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C14H18N2O2/c1-3-15-8-5-9-16-12-10(2)6-4-7-11(12)13(17)14(16)18/h4,6-7,15H,3,5,8-9H2,1-2H3
InChIKeyMHUHHKTVAZOJCE-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
CID 61387891
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
1-[2-(tert-butylamino)ethyl]-7-methylindole-2,3-dione
CID 61387866
1-[3-(ethylamino)propyl]indole-2,3-dione
CID 61387334
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
5-(7-methyl-2,3-dioxoindol-1-yl)pentanenitrile
CID 54965736
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
CID 3157311
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione?
The IUPAC name of 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione (CID 61387911) is 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione?
The canonical SMILES for 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione is CCNCCCN1C(=O)C(=O)c2cccc(C)c21.
What is the InChIKey of 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione?
The InChIKey is MHUHHKTVAZOJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15-8-5-9-16-12-10(2)6-4-7-11(12)13(17)14(16)18/h4,6-7,15H,3,5,8-9H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione?
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione has a molecular weight of 246.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione is sourced from PubChem (CID 61387911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).