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

C13H20N2 — CID 83860874

IUPAC2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCc1cccc2c1N(C)C(C(C)CN)C2
InChIInChI=1S/C13H20N2/c1-9-5-4-6-11-7-12(10(2)8-14)15(3)13(9)11/h4-6,10,12H,7-8,14H2,1-3H3
InChIKeyOJFLGFJULWHHFO-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.95
Rot. Bonds2

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

2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine (PubChem CID 83860874) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine
PubChem CID83860874
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCc1cccc2c1N(C)C(C(C)CN)C2
InChIInChI=1S/C13H20N2/c1-9-5-4-6-11-7-12(10(2)8-14)15(3)13(9)11/h4-6,10,12H,7-8,14H2,1-3H3
InChIKeyOJFLGFJULWHHFO-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine?
The IUPAC name of 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine (CID 83860874) is 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine?
The canonical SMILES for 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine is Cc1cccc2c1N(C)C(C(C)CN)C2.
What is the InChIKey of 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine?
The InChIKey is OJFLGFJULWHHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-5-4-6-11-7-12(10(2)8-14)15(3)13(9)11/h4-6,10,12H,7-8,14H2,1-3H3.
What are the key properties of 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine?
2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine is sourced from PubChem (CID 83860874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).