N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine

C16H18N2 — CID 81405488

IUPACN-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2ccccc21)c1ccncc1
InChIInChI=1S/C16H18N2/c1-12(13-8-10-17-11-9-13)18-16-7-6-14-4-2-3-5-15(14)16/h2-5,8-12,16,18H,6-7H2,1H3/t12-,16?/m1/s1
InChIKeyGUOXEEKPTKJGBF-ZGTOLYCTSA-N
MW238.33 g/mol
LogP3.42
Rot. Bonds3

About N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine

N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81405488) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81405488
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2ccccc21)c1ccncc1
InChIInChI=1S/C16H18N2/c1-12(13-8-10-17-11-9-13)18-16-7-6-14-4-2-3-5-15(14)16/h2-5,8-12,16,18H,6-7H2,1H3/t12-,16?/m1/s1
InChIKeyGUOXEEKPTKJGBF-ZGTOLYCTSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine (CID 81405488) is N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine is C[C@@H](NC1CCc2ccccc21)c1ccncc1.
What is the InChIKey of N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GUOXEEKPTKJGBF-ZGTOLYCTSA-N. The full InChI is InChI=1S/C16H18N2/c1-12(13-8-10-17-11-9-13)18-16-7-6-14-4-2-3-5-15(14)16/h2-5,8-12,16,18H,6-7H2,1H3/t12-,16?/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine?
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81405488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).