N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine

C16H25N3 — CID 115238608

IUPACN-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCN1CCNC(CN(C)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H25N3/c1-18-9-8-17-15(11-18)12-19(2)16-7-6-13-4-3-5-14(13)10-16/h6-7,10,15,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyXBCJQRJNONQCBI-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.52
Rot. Bonds3

About N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine

N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 115238608) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID115238608
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCN1CCNC(CN(C)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H25N3/c1-18-9-8-17-15(11-18)12-19(2)16-7-6-13-4-3-5-14(13)10-16/h6-7,10,15,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyXBCJQRJNONQCBI-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 115238608) is N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine is CN1CCNC(CN(C)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is XBCJQRJNONQCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-9-8-17-15(11-18)12-19(2)16-7-6-13-4-3-5-14(13)10-16/h6-7,10,15,17H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 259.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 115238608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).