2,3-dimethyl-1-propyl-2,3-dihydroindole

C13H19N — CID 161026697

IUPAC2,3-dimethyl-1-propyl-2,3-dihydroindole
SMILESCCCN1c2ccccc2C(C)C1C
InChIInChI=1S/C13H19N/c1-4-9-14-11(3)10(2)12-7-5-6-8-13(12)14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyZLRCMTUSBPNRGH-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.41
Rot. Bonds2

About 2,3-dimethyl-1-propyl-2,3-dihydroindole

2,3-dimethyl-1-propyl-2,3-dihydroindole (PubChem CID 161026697) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-propyl-2,3-dihydroindole.

Molecular Properties

Compound Name2,3-dimethyl-1-propyl-2,3-dihydroindole
PubChem CID161026697
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,3-dimethyl-1-propyl-2,3-dihydroindole
SMILESCCCN1c2ccccc2C(C)C1C
InChIInChI=1S/C13H19N/c1-4-9-14-11(3)10(2)12-7-5-6-8-13(12)14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyZLRCMTUSBPNRGH-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,2,3-trimethyl-2,3-dihydroindole
CID 91500184
(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 71387028
N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide
CID 163155161
2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
CID 91464048
(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
CID 163690232
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
3-propyl-2H-1,3-benzothiazole-2-thiol
CID 152670089
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol
CID 21053894
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole
CID 118154701
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propyl-2,3-dihydroindole?
The IUPAC name of 2,3-dimethyl-1-propyl-2,3-dihydroindole (CID 161026697) is 2,3-dimethyl-1-propyl-2,3-dihydroindole.
What is the SMILES notation for 2,3-dimethyl-1-propyl-2,3-dihydroindole?
The canonical SMILES for 2,3-dimethyl-1-propyl-2,3-dihydroindole is CCCN1c2ccccc2C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-propyl-2,3-dihydroindole?
The InChIKey is ZLRCMTUSBPNRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-9-14-11(3)10(2)12-7-5-6-8-13(12)14/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-propyl-2,3-dihydroindole?
2,3-dimethyl-1-propyl-2,3-dihydroindole has a molecular weight of 189.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propyl-2,3-dihydroindole is sourced from PubChem (CID 161026697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).