5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one

C16H24N4O — CID 61240190

IUPAC5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCN1CCCCCC1)NC(=O)C2
InChIInChI=1S/C16H24N4O/c17-13-9-12-10-16(21)19-14(12)11-15(13)18-5-8-20-6-3-1-2-4-7-20/h9,11,18H,1-8,10,17H2,(H,19,21)
InChIKeyZPZCRIULRKMVSY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.05
Rot. Bonds4

About 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one

5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 61240190) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID61240190
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCN1CCCCCC1)NC(=O)C2
InChIInChI=1S/C16H24N4O/c17-13-9-12-10-16(21)19-14(12)11-15(13)18-5-8-20-6-3-1-2-4-7-20/h9,11,18H,1-8,10,17H2,(H,19,21)
InChIKeyZPZCRIULRKMVSY-UHFFFAOYSA-N
XLogP2.05
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one (CID 61240190) is 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCCN1CCCCCC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is ZPZCRIULRKMVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-13-9-12-10-16(21)19-14(12)11-15(13)18-5-8-20-6-3-1-2-4-7-20/h9,11,18H,1-8,10,17H2,(H,19,21).
What are the key properties of 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one?
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61240190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).