3,3-dimethyl-5-propylindole

C13H17N — CID 21492656

IUPAC3,3-dimethyl-5-propylindole
SMILESCCCc1ccc2c(c1)C(C)(C)C=N2
InChIInChI=1S/C13H17N/c1-4-5-10-6-7-12-11(8-10)13(2,3)9-14-12/h6-9H,4-5H2,1-3H3
InChIKeyPKOUSMJZKLWBMG-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.63
Rot. Bonds2

About 3,3-dimethyl-5-propylindole

3,3-dimethyl-5-propylindole (PubChem CID 21492656) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3,3-dimethyl-5-propylindole.

Molecular Properties

Compound Name3,3-dimethyl-5-propylindole
PubChem CID21492656
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3,3-dimethyl-5-propylindole
SMILESCCCc1ccc2c(c1)C(C)(C)C=N2
InChIInChI=1S/C13H17N/c1-4-5-10-6-7-12-11(8-10)13(2,3)9-14-12/h6-9H,4-5H2,1-3H3
InChIKeyPKOUSMJZKLWBMG-UHFFFAOYSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
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1-fluoro-4-propylbenzene
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2-chloro-4-propylaniline
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2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
CID 139888848
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
1,2-diethoxy-4-propylbenzene
CID 3995471
1,2-diethyl-4-propylbenzene
CID 54363919
2-methylidene-7-propyl-3,4-dihydro-1H-quinoline
CID 143343070
2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1,2-difluoro-4-propylbenzene;methane
CID 160697343

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propylindole?
The IUPAC name of 3,3-dimethyl-5-propylindole (CID 21492656) is 3,3-dimethyl-5-propylindole.
What is the SMILES notation for 3,3-dimethyl-5-propylindole?
The canonical SMILES for 3,3-dimethyl-5-propylindole is CCCc1ccc2c(c1)C(C)(C)C=N2.
What is the InChIKey of 3,3-dimethyl-5-propylindole?
The InChIKey is PKOUSMJZKLWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-5-10-6-7-12-11(8-10)13(2,3)9-14-12/h6-9H,4-5H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-propylindole?
3,3-dimethyl-5-propylindole has a molecular weight of 187.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propylindole is sourced from PubChem (CID 21492656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).