N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine

C25H34N2 — CID 146199887

IUPACN-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine
SMILESC[C@@H]1C[C@@H](CCN(C)Cc2ccccc2)c2ccc(N3CCCCC3)cc21
InChIInChI=1S/C25H34N2/c1-20-17-22(13-16-26(2)19-21-9-5-3-6-10-21)24-12-11-23(18-25(20)24)27-14-7-4-8-15-27/h3,5-6,9-12,18,20,22H,4,7-8,13-17,19H2,1-2H3/t20-,22-/m1/s1
InChIKeyLKUYDCSUVZRFIW-IFMALSPDSA-N
MW362.56 g/mol
LogP5.79
Rot. Bonds6

About N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine

N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine (PubChem CID 146199887) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine
PubChem CID146199887
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC NameN-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine
SMILESC[C@@H]1C[C@@H](CCN(C)Cc2ccccc2)c2ccc(N3CCCCC3)cc21
InChIInChI=1S/C25H34N2/c1-20-17-22(13-16-26(2)19-21-9-5-3-6-10-21)24-12-11-23(18-25(20)24)27-14-7-4-8-15-27/h3,5-6,9-12,18,20,22H,4,7-8,13-17,19H2,1-2H3/t20-,22-/m1/s1
InChIKeyLKUYDCSUVZRFIW-IFMALSPDSA-N
XLogP5.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 3-[4-[(1S,3R)-3-methyl-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2,3-dihydro-1H-inden-5-yl]piperazin-1-yl]propanoate
CID 138464733
prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate
CID 145300241
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-[4-[benzyl(ethyl)amino]butyl]-5-pyrrolidin-1-yl-2,3-dihydroinden-1-one
CID 19801198
1-[3-[[benzyl(methyl)amino]methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122116998
N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine
CID 177460694
N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551926
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
CID 71553275
N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
CID 161280376
N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 11695647

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine?
The IUPAC name of N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine (CID 146199887) is N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine is C[C@@H]1C[C@@H](CCN(C)Cc2ccccc2)c2ccc(N3CCCCC3)cc21.
What is the InChIKey of N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine?
The InChIKey is LKUYDCSUVZRFIW-IFMALSPDSA-N. The full InChI is InChI=1S/C25H34N2/c1-20-17-22(13-16-26(2)19-21-9-5-3-6-10-21)24-12-11-23(18-25(20)24)27-14-7-4-8-15-27/h3,5-6,9-12,18,20,22H,4,7-8,13-17,19H2,1-2H3/t20-,22-/m1/s1.
What are the key properties of N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine?
N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine has a molecular weight of 362.56 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine is sourced from PubChem (CID 146199887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).