[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine

C16H25N3 — CID 80506903

IUPAC[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ccc3c(c2)CCC3)C(CN)C1
InChIInChI=1S/C16H25N3/c1-18-7-8-19(16(10-17)12-18)11-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,16H,2-4,7-8,10-12,17H2,1H3
InChIKeyPPYKJWDXVJFFHZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.25
Rot. Bonds3

About [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine

[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506903) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80506903
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ccc3c(c2)CCC3)C(CN)C1
InChIInChI=1S/C16H25N3/c1-18-7-8-19(16(10-17)12-18)11-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,16H,2-4,7-8,10-12,17H2,1H3
InChIKeyPPYKJWDXVJFFHZ-UHFFFAOYSA-N
XLogP1.25
TPSA32.50 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
CID 80505367
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 81436014
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
3-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzonitrile
CID 80505133
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
methyl 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzoate
CID 80505658
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80506838
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine (CID 80506903) is [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine is CN1CCN(Cc2ccc3c(c2)CCC3)C(CN)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is PPYKJWDXVJFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-7-8-19(16(10-17)12-18)11-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,16H,2-4,7-8,10-12,17H2,1H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 259.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).