1-methyl-4-propylindole

C12H15N — CID 59939717

IUPAC1-methyl-4-propylindole
SMILESCCCc1cccc2c1ccn2C
InChIInChI=1S/C12H15N/c1-3-5-10-6-4-7-12-11(10)8-9-13(12)2/h4,6-9H,3,5H2,1-2H3
InChIKeyUPZJPCPMGGJAIY-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-4-propylindole

1-methyl-4-propylindole (PubChem CID 59939717) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-methyl-4-propylindole.

Molecular Properties

Compound Name1-methyl-4-propylindole
PubChem CID59939717
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-methyl-4-propylindole
SMILESCCCc1cccc2c1ccn2C
InChIInChI=1S/C12H15N/c1-3-5-10-6-4-7-12-11(10)8-9-13(12)2/h4,6-9H,3,5H2,1-2H3
InChIKeyUPZJPCPMGGJAIY-UHFFFAOYSA-N
XLogP3.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,2-dimethylpropyl)-1-methylindole
CID 69029951
4-[3-(1-methylindol-4-yl)propyl]morpholine
CID 170870710
tert-butyl 4-propylindole-1-carboxylate
CID 70451339
4-chloro-1-methylindole;ethane
CID 142062846
2-ethoxy-1,3-dipropylbenzene
CID 14665558
(3aR,6aS)-2-N,2-N,5-N-trimethyl-5-N-[(1-methylindol-4-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine
CID 135116045
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
methanamine;1-propylnaphthalene
CID 174438724
O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
CID 117314447
3-decyl-1-methylindole
CID 10802084
1-fluoro-5-propylnaphthalene
CID 143275008
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylindole?
The IUPAC name of 1-methyl-4-propylindole (CID 59939717) is 1-methyl-4-propylindole.
What is the SMILES notation for 1-methyl-4-propylindole?
The canonical SMILES for 1-methyl-4-propylindole is CCCc1cccc2c1ccn2C.
What is the InChIKey of 1-methyl-4-propylindole?
The InChIKey is UPZJPCPMGGJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-5-10-6-4-7-12-11(10)8-9-13(12)2/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 1-methyl-4-propylindole?
1-methyl-4-propylindole has a molecular weight of 173.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylindole is sourced from PubChem (CID 59939717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).