N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine

C16H23NO — CID 95138297

IUPACN-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCC[C@H]1CCOC1)C2
InChIInChI=1S/C16H23NO/c1-2-6-15-11-16(10-14(15)5-1)17-8-3-4-13-7-9-18-12-13/h1-2,5-6,13,16-17H,3-4,7-12H2/t13-/m0/s1
InChIKeyYAGRGNPIKIRCIE-ZDUSSCGKSA-N
MW245.37 g/mol
LogP2.56
Rot. Bonds5

About N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine

N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 95138297) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID95138297
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCC[C@H]1CCOC1)C2
InChIInChI=1S/C16H23NO/c1-2-6-15-11-16(10-14(15)5-1)17-8-3-4-13-7-9-18-12-13/h1-2,5-6,13,16-17H,3-4,7-12H2/t13-/m0/s1
InChIKeyYAGRGNPIKIRCIE-ZDUSSCGKSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 2245144
[2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol
CID 84589218
N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 97602568
N-(2,3-dihydro-1H-inden-2-yl)-2-[(3R)-oxolan-3-yl]acetamide
CID 124291623
N-ethyl-2-(3-methoxy-3-methylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 103034570
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
CID 61749661
4-fluoro-N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483101
4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483664
4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 79484173
4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81297681
N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 103777337
5-fluoro-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103878970

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine (CID 95138297) is N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCCC[C@H]1CCOC1)C2.
What is the InChIKey of N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is YAGRGNPIKIRCIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-6-15-11-16(10-14(15)5-1)17-8-3-4-13-7-9-18-12-13/h1-2,5-6,13,16-17H,3-4,7-12H2/t13-/m0/s1.
What are the key properties of N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 95138297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).