1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine

C16H24N4 — CID 117175503

IUPAC1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine
SMILESCCn1cc(CN2CCN(C)CC2)c2cc(N)ccc21
InChIInChI=1S/C16H24N4/c1-3-20-12-13(11-19-8-6-18(2)7-9-19)15-10-14(17)4-5-16(15)20/h4-5,10,12H,3,6-9,11,17H2,1-2H3
InChIKeyFQSFHAIPOAIJPP-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.99
Rot. Bonds3

About 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine

1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine (PubChem CID 117175503) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine
PubChem CID117175503
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine
SMILESCCn1cc(CN2CCN(C)CC2)c2cc(N)ccc21
InChIInChI=1S/C16H24N4/c1-3-20-12-13(11-19-8-6-18(2)7-9-19)15-10-14(17)4-5-16(15)20/h4-5,10,12H,3,6-9,11,17H2,1-2H3
InChIKeyFQSFHAIPOAIJPP-UHFFFAOYSA-N
XLogP1.99
TPSA37.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine?
The IUPAC name of 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine (CID 117175503) is 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine.
What is the SMILES notation for 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine?
The canonical SMILES for 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine is CCn1cc(CN2CCN(C)CC2)c2cc(N)ccc21.
What is the InChIKey of 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine?
The InChIKey is FQSFHAIPOAIJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-20-12-13(11-19-8-6-18(2)7-9-19)15-10-14(17)4-5-16(15)20/h4-5,10,12H,3,6-9,11,17H2,1-2H3.
What are the key properties of 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine?
1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine is sourced from PubChem (CID 117175503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).