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

C16H24N4 — CID 117176518

IUPAC[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
SMILESCN1CCN(Cc2cc3cc(CN)ccc3n2C)CC1
InChIInChI=1S/C16H24N4/c1-18-5-7-20(8-6-18)12-15-10-14-9-13(11-17)3-4-16(14)19(15)2/h3-4,9-10H,5-8,11-12,17H2,1-2H3
InChIKeyJMXRQMDFINQHOW-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.38
Rot. Bonds3

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

[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine (PubChem CID 117176518) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
PubChem CID117176518
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
SMILESCN1CCN(Cc2cc3cc(CN)ccc3n2C)CC1
InChIInChI=1S/C16H24N4/c1-18-5-7-20(8-6-18)12-15-10-14-9-13(11-17)3-4-16(14)19(15)2/h3-4,9-10H,5-8,11-12,17H2,1-2H3
InChIKeyJMXRQMDFINQHOW-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
The IUPAC name of [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine (CID 117176518) is [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine.
What is the SMILES notation for [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
The canonical SMILES for [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine is CN1CCN(Cc2cc3cc(CN)ccc3n2C)CC1.
What is the InChIKey of [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
The InChIKey is JMXRQMDFINQHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-18-5-7-20(8-6-18)12-15-10-14-9-13(11-17)3-4-16(14)19(15)2/h3-4,9-10H,5-8,11-12,17H2,1-2H3.
What are the key properties of [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine?
[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine has a molecular weight of 272.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine is sourced from PubChem (CID 117176518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).