1-methyl-3-propan-2-ylindole

C12H15N — CID 10942942

IUPAC1-methyl-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2ccccc12
InChIInChI=1S/C12H15N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyDBSCJCSYAJNLCT-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.30
Rot. Bonds1

About 1-methyl-3-propan-2-ylindole

1-methyl-3-propan-2-ylindole (PubChem CID 10942942) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylindole.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylindole
PubChem CID10942942
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-methyl-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2ccccc12
InChIInChI=1S/C12H15N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyDBSCJCSYAJNLCT-UHFFFAOYSA-N
XLogP3.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(1-bromoethyl)-1-methylindole
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1-methyl-3-(4-methylpentan-2-yl)indole
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1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
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1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
CID 116859440
1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine
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1-methyl-3-(1-thiophen-2-ylethyl)indole
CID 23649825
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylindole?
The IUPAC name of 1-methyl-3-propan-2-ylindole (CID 10942942) is 1-methyl-3-propan-2-ylindole.
What is the SMILES notation for 1-methyl-3-propan-2-ylindole?
The canonical SMILES for 1-methyl-3-propan-2-ylindole is CC(C)c1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-propan-2-ylindole?
The InChIKey is DBSCJCSYAJNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12/h4-9H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylindole?
1-methyl-3-propan-2-ylindole has a molecular weight of 173.26 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylindole is sourced from PubChem (CID 10942942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).