1-methyl-2-propylindole

C12H15N — CID 13170349

IUPAC1-methyl-2-propylindole
SMILESCCCc1cc2ccccc2n1C
InChIInChI=1S/C12H15N/c1-3-6-11-9-10-7-4-5-8-12(10)13(11)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyCYKBXXLTVVGRDK-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-2-propylindole

1-methyl-2-propylindole (PubChem CID 13170349) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-methyl-2-propylindole.

Molecular Properties

Compound Name1-methyl-2-propylindole
PubChem CID13170349
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-methyl-2-propylindole
SMILESCCCc1cc2ccccc2n1C
InChIInChI=1S/C12H15N/c1-3-6-11-9-10-7-4-5-8-12(10)13(11)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyCYKBXXLTVVGRDK-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

2-(bromomethyl)-1-methylindole
CID 58970525
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
1-methyl-2-(4-methylpent-4-enyl)indole
CID 71374623
1-nonyl-2-propylindole
CID 19869956
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
acetic acid;2-ethyl-1-methylindole
CID 70581856
1,2-dimethylindole;triethyl-[(1-methylindol-2-yl)methyl]silane
CID 158690432
1-(1-methylindol-2-yl)butan-2-amine
CID 131504320
4-[2-(1-methylindol-2-yl)ethyl]benzonitrile
CID 23296415
2-(2-propylindol-1-yl)acetic acid
CID 139491348
N-[(1-methylindol-2-yl)methoxy]methanamine
CID 90266880

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylindole?
The IUPAC name of 1-methyl-2-propylindole (CID 13170349) is 1-methyl-2-propylindole.
What is the SMILES notation for 1-methyl-2-propylindole?
The canonical SMILES for 1-methyl-2-propylindole is CCCc1cc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-propylindole?
The InChIKey is CYKBXXLTVVGRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-6-11-9-10-7-4-5-8-12(10)13(11)2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 1-methyl-2-propylindole?
1-methyl-2-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-2-propylindole is sourced from PubChem (CID 13170349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).