N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine

C14H21N — CID 124705292

IUPACN-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
SMILESCCCNC[C@H]1Cc2ccccc2[C@@H]1C
InChIInChI=1S/C14H21N/c1-3-8-15-10-13-9-12-6-4-5-7-14(12)11(13)2/h4-7,11,13,15H,3,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyQTHDRJVQBJAZGO-DGCLKSJQSA-N
MW203.33 g/mol
LogP2.96
Rot. Bonds4

About N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine

N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine (PubChem CID 124705292) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
PubChem CID124705292
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
SMILESCCCNC[C@H]1Cc2ccccc2[C@@H]1C
InChIInChI=1S/C14H21N/c1-3-8-15-10-13-9-12-6-4-5-7-14(12)11(13)2/h4-7,11,13,15H,3,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyQTHDRJVQBJAZGO-DGCLKSJQSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine (CID 124705292) is N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine is CCCNC[C@H]1Cc2ccccc2[C@@H]1C.
What is the InChIKey of N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine?
The InChIKey is QTHDRJVQBJAZGO-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H21N/c1-3-8-15-10-13-9-12-6-4-5-7-14(12)11(13)2/h4-7,11,13,15H,3,8-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine?
N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 124705292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).