(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine

C15H22N4 — CID 116941281

IUPAC(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine
SMILESCc1[nH]c2ccccc2c1C(N)C1CNCCN1C
InChIInChI=1S/C15H22N4/c1-10-14(11-5-3-4-6-12(11)18-10)15(16)13-9-17-7-8-19(13)2/h3-6,13,15,17-18H,7-9,16H2,1-2H3
InChIKeyMCRZFCNBQMUBJS-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.38
Rot. Bonds2

About (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine

(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116941281) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine
PubChem CID116941281
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine
SMILESCc1[nH]c2ccccc2c1C(N)C1CNCCN1C
InChIInChI=1S/C15H22N4/c1-10-14(11-5-3-4-6-12(11)18-10)15(16)13-9-17-7-8-19(13)2/h3-6,13,15,17-18H,7-9,16H2,1-2H3
InChIKeyMCRZFCNBQMUBJS-UHFFFAOYSA-N
XLogP1.38
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine (CID 116941281) is (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine is Cc1[nH]c2ccccc2c1C(N)C1CNCCN1C.
What is the InChIKey of (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is MCRZFCNBQMUBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-14(11-5-3-4-6-12(11)18-10)15(16)13-9-17-7-8-19(13)2/h3-6,13,15,17-18H,7-9,16H2,1-2H3.
What are the key properties of (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine?
(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 258.37 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).