1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine

C15H24N4 — CID 114456237

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
SMILESCN1CCN(CCN2CCc3cccc(N)c32)CC1
InChIInChI=1S/C15H24N4/c1-17-7-9-18(10-8-17)11-12-19-6-5-13-3-2-4-14(16)15(13)19/h2-4H,5-12,16H2,1H3
InChIKeyWIAPKDQZVDUYQG-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.88
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine

1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine (PubChem CID 114456237) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
PubChem CID114456237
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
SMILESCN1CCN(CCN2CCc3cccc(N)c32)CC1
InChIInChI=1S/C15H24N4/c1-17-7-9-18(10-8-17)11-12-19-6-5-13-3-2-4-14(16)15(13)19/h2-4H,5-12,16H2,1H3
InChIKeyWIAPKDQZVDUYQG-UHFFFAOYSA-N
XLogP0.88
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine
CID 103005351
1-hept-6-enyl-2,3-dihydroindol-7-amine
CID 107008081
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
CID 114930849
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine (CID 114456237) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine is CN1CCN(CCN2CCc3cccc(N)c32)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine?
The InChIKey is WIAPKDQZVDUYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-17-7-9-18(10-8-17)11-12-19-6-5-13-3-2-4-14(16)15(13)19/h2-4H,5-12,16H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine?
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine has a molecular weight of 260.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).