1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine

C15H22N2O — CID 114456562

IUPAC1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(CCCC1CCCO1)CC2
InChIInChI=1S/C15H22N2O/c16-14-7-1-4-12-8-10-17(15(12)14)9-2-5-13-6-3-11-18-13/h1,4,7,13H,2-3,5-6,8-11,16H2
InChIKeyBLZXWTLYRXYLGV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.59
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine

1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine (PubChem CID 114456562) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
PubChem CID114456562
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(CCCC1CCCO1)CC2
InChIInChI=1S/C15H22N2O/c16-14-7-1-4-12-8-10-17(15(12)14)9-2-5-13-6-3-11-18-13/h1,4,7,13H,2-3,5-6,8-11,16H2
InChIKeyBLZXWTLYRXYLGV-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine (CID 114456562) is 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine is Nc1cccc2c1N(CCCC1CCCO1)CC2.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine?
The InChIKey is BLZXWTLYRXYLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-14-7-1-4-12-8-10-17(15(12)14)9-2-5-13-6-3-11-18-13/h1,4,7,13H,2-3,5-6,8-11,16H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine?
1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine has a molecular weight of 246.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).