[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine

C17H26N4 — CID 117177024

IUPAC[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
SMILESCCn1c(CN2CCN(C)CC2)cc2cc(CN)ccc21
InChIInChI=1S/C17H26N4/c1-3-21-16(13-20-8-6-19(2)7-9-20)11-15-10-14(12-18)4-5-17(15)21/h4-5,10-11H,3,6-9,12-13,18H2,1-2H3
InChIKeyWVPXBEUKGKWVPE-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.87
Rot. Bonds4

About [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine

[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine (PubChem CID 117177024) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
PubChem CID117177024
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
SMILESCCn1c(CN2CCN(C)CC2)cc2cc(CN)ccc21
InChIInChI=1S/C17H26N4/c1-3-21-16(13-20-8-6-19(2)7-9-20)11-15-10-14(12-18)4-5-17(15)21/h4-5,10-11H,3,6-9,12-13,18H2,1-2H3
InChIKeyWVPXBEUKGKWVPE-UHFFFAOYSA-N
XLogP1.87
TPSA37.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine (CID 117177024) is [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine is CCn1c(CN2CCN(C)CC2)cc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
The InChIKey is WVPXBEUKGKWVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-21-16(13-20-8-6-19(2)7-9-20)11-15-10-14(12-18)4-5-17(15)21/h4-5,10-11H,3,6-9,12-13,18H2,1-2H3.
What are the key properties of [1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 1.87, 4 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-5-yl]methanamine is sourced from PubChem (CID 117177024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).