7-methyl-4-propan-2-yl-3H-indol-2-amine

C12H16N2 — CID 130377983

IUPAC7-methyl-4-propan-2-yl-3H-indol-2-amine
SMILESCc1ccc(C(C)C)c2c1N=C(N)C2
InChIInChI=1S/C12H16N2/c1-7(2)9-5-4-8(3)12-10(9)6-11(13)14-12/h4-5,7H,6H2,1-3H3,(H2,13,14)
InChIKeyJSEMXFNOUXUUTJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.66
Rot. Bonds1

About 7-methyl-4-propan-2-yl-3H-indol-2-amine

7-methyl-4-propan-2-yl-3H-indol-2-amine (PubChem CID 130377983) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-methyl-4-propan-2-yl-3H-indol-2-amine.

Molecular Properties

Compound Name7-methyl-4-propan-2-yl-3H-indol-2-amine
PubChem CID130377983
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name7-methyl-4-propan-2-yl-3H-indol-2-amine
SMILESCc1ccc(C(C)C)c2c1N=C(N)C2
InChIInChI=1S/C12H16N2/c1-7(2)9-5-4-8(3)12-10(9)6-11(13)14-12/h4-5,7H,6H2,1-3H3,(H2,13,14)
InChIKeyJSEMXFNOUXUUTJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-propan-2-yl-3H-indol-2-amine?
The IUPAC name of 7-methyl-4-propan-2-yl-3H-indol-2-amine (CID 130377983) is 7-methyl-4-propan-2-yl-3H-indol-2-amine.
What is the SMILES notation for 7-methyl-4-propan-2-yl-3H-indol-2-amine?
The canonical SMILES for 7-methyl-4-propan-2-yl-3H-indol-2-amine is Cc1ccc(C(C)C)c2c1N=C(N)C2.
What is the InChIKey of 7-methyl-4-propan-2-yl-3H-indol-2-amine?
The InChIKey is JSEMXFNOUXUUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7(2)9-5-4-8(3)12-10(9)6-11(13)14-12/h4-5,7H,6H2,1-3H3,(H2,13,14).
What are the key properties of 7-methyl-4-propan-2-yl-3H-indol-2-amine?
7-methyl-4-propan-2-yl-3H-indol-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propan-2-yl-3H-indol-2-amine is sourced from PubChem (CID 130377983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).