N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine

C16H26N4 — CID 82626186

IUPACN,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine
SMILESCN(C)c1ccc2c(c1)C(CN1CCNCC1)CN2C
InChIInChI=1S/C16H26N4/c1-18(2)14-4-5-16-15(10-14)13(11-19(16)3)12-20-8-6-17-7-9-20/h4-5,10,13,17H,6-9,11-12H2,1-3H3
InChIKeySBBRFTOORCFBID-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.19
Rot. Bonds3

About N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine

N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine (PubChem CID 82626186) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine
PubChem CID82626186
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine
SMILESCN(C)c1ccc2c(c1)C(CN1CCNCC1)CN2C
InChIInChI=1S/C16H26N4/c1-18(2)14-4-5-16-15(10-14)13(11-19(16)3)12-20-8-6-17-7-9-20/h4-5,10,13,17H,6-9,11-12H2,1-3H3
InChIKeySBBRFTOORCFBID-UHFFFAOYSA-N
XLogP1.19
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine?
The IUPAC name of N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine (CID 82626186) is N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine.
What is the SMILES notation for N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine?
The canonical SMILES for N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine is CN(C)c1ccc2c(c1)C(CN1CCNCC1)CN2C.
What is the InChIKey of N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine?
The InChIKey is SBBRFTOORCFBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-18(2)14-4-5-16-15(10-14)13(11-19(16)3)12-20-8-6-17-7-9-20/h4-5,10,13,17H,6-9,11-12H2,1-3H3.
What are the key properties of N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine?
N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine has a molecular weight of 274.41 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine is sourced from PubChem (CID 82626186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).