3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine

C12H18N2 — CID 83752989

IUPAC3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
SMILESCc1cccc2c1N(CCCN)CC2
InChIInChI=1S/C12H18N2/c1-10-4-2-5-11-6-9-14(12(10)11)8-3-7-13/h2,4-5H,3,6-9,13H2,1H3
InChIKeyNZIVESIFRUBLQW-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.71
Rot. Bonds3

About 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine

3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine (PubChem CID 83752989) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
PubChem CID83752989
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
SMILESCc1cccc2c1N(CCCN)CC2
InChIInChI=1S/C12H18N2/c1-10-4-2-5-11-6-9-14(12(10)11)8-3-7-13/h2,4-5H,3,6-9,13H2,1H3
InChIKeyNZIVESIFRUBLQW-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine?
The IUPAC name of 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine (CID 83752989) is 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine is Cc1cccc2c1N(CCCN)CC2.
What is the InChIKey of 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine?
The InChIKey is NZIVESIFRUBLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-4-2-5-11-6-9-14(12(10)11)8-3-7-13/h2,4-5H,3,6-9,13H2,1H3.
What are the key properties of 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine?
3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine is sourced from PubChem (CID 83752989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).