1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine

C16H24N4 — CID 117180617

IUPAC1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine
SMILESCCn1c(CN2CCN(C)CC2)cc2ccc(N)cc21
InChIInChI=1S/C16H24N4/c1-3-20-15(12-19-8-6-18(2)7-9-19)10-13-4-5-14(17)11-16(13)20/h4-5,10-11H,3,6-9,12,17H2,1-2H3
InChIKeyJGEZAQSYQBPACQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.99
Rot. Bonds3

About 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine

1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine (PubChem CID 117180617) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine.

Molecular Properties

Compound Name1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine
PubChem CID117180617
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine
SMILESCCn1c(CN2CCN(C)CC2)cc2ccc(N)cc21
InChIInChI=1S/C16H24N4/c1-3-20-15(12-19-8-6-18(2)7-9-19)10-13-4-5-14(17)11-16(13)20/h4-5,10-11H,3,6-9,12,17H2,1-2H3
InChIKeyJGEZAQSYQBPACQ-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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Related Compounds

[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117177024
(6-amino-1-ethylindol-2-yl)methanethiol
CID 117180857
1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine
CID 117177153
6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117180580
1-ethyl-2-(morpholin-4-ylmethyl)indol-6-ol
CID 117180604
1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine
CID 117175503
5-amino-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 117219401
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 28721933
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186009
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
CID 117180622
[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117176518

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine?
The IUPAC name of 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine (CID 117180617) is 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine.
What is the SMILES notation for 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine?
The canonical SMILES for 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine is CCn1c(CN2CCN(C)CC2)cc2ccc(N)cc21.
What is the InChIKey of 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine?
The InChIKey is JGEZAQSYQBPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-20-15(12-19-8-6-18(2)7-9-19)10-13-4-5-14(17)11-16(13)20/h4-5,10-11H,3,6-9,12,17H2,1-2H3.
What are the key properties of 1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine?
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-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-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine is sourced from PubChem (CID 117180617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).