3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine

C14H22N2 — CID 43208046

IUPAC3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H22N2/c1-12(2)15-9-5-10-16-11-8-13-6-3-4-7-14(13)16/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyMPHHMQMIMNDCOQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.44
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine

3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 43208046) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine
PubChem CID43208046
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H22N2/c1-12(2)15-9-5-10-16-11-8-13-6-3-4-7-14(13)16/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyMPHHMQMIMNDCOQ-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.44
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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine (CID 43208046) is 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCCCN1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is MPHHMQMIMNDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)15-9-5-10-16-11-8-13-6-3-4-7-14(13)16/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine?
3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 43208046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).