5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine

C16H24N2O — CID 83212541

IUPAC5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCCC1CCCO1)CC2
InChIInChI=1S/C16H24N2O/c1-12-10-13-6-8-18(16(13)11-15(12)17)7-2-4-14-5-3-9-19-14/h10-11,14H,2-9,17H2,1H3
InChIKeyBERNXVDZVOBWJC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.90
Rot. Bonds4

About 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine

5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine (PubChem CID 83212541) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine
PubChem CID83212541
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCCC1CCCO1)CC2
InChIInChI=1S/C16H24N2O/c1-12-10-13-6-8-18(16(13)11-15(12)17)7-2-4-14-5-3-9-19-14/h10-11,14H,2-9,17H2,1H3
InChIKeyBERNXVDZVOBWJC-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.90
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 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine (CID 83212541) is 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(CCCC1CCCO1)CC2.
What is the InChIKey of 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine?
The InChIKey is BERNXVDZVOBWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-10-13-6-8-18(16(13)11-15(12)17)7-2-4-14-5-3-9-19-14/h10-11,14H,2-9,17H2,1H3.
What are the key properties of 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine?
5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine has a molecular weight of 260.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83212541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).