1-cyclopropyl-2-methylindol-7-amine

C12H14N2 — CID 115017102

IUPAC1-cyclopropyl-2-methylindol-7-amine
SMILESCc1cc2cccc(N)c2n1C1CC1
InChIInChI=1S/C12H14N2/c1-8-7-9-3-2-4-11(13)12(9)14(8)10-5-6-10/h2-4,7,10H,5-6,13H2,1H3
InChIKeyMHXCEHYQDXJVBO-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.87
Rot. Bonds1

About 1-cyclopropyl-2-methylindol-7-amine

1-cyclopropyl-2-methylindol-7-amine (PubChem CID 115017102) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylindol-7-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-methylindol-7-amine
PubChem CID115017102
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-cyclopropyl-2-methylindol-7-amine
SMILESCc1cc2cccc(N)c2n1C1CC1
InChIInChI=1S/C12H14N2/c1-8-7-9-3-2-4-11(13)12(9)14(8)10-5-6-10/h2-4,7,10H,5-6,13H2,1H3
InChIKeyMHXCEHYQDXJVBO-UHFFFAOYSA-N
XLogP2.87
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylindol-7-amine?
The IUPAC name of 1-cyclopropyl-2-methylindol-7-amine (CID 115017102) is 1-cyclopropyl-2-methylindol-7-amine.
What is the SMILES notation for 1-cyclopropyl-2-methylindol-7-amine?
The canonical SMILES for 1-cyclopropyl-2-methylindol-7-amine is Cc1cc2cccc(N)c2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylindol-7-amine?
The InChIKey is MHXCEHYQDXJVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-7-9-3-2-4-11(13)12(9)14(8)10-5-6-10/h2-4,7,10H,5-6,13H2,1H3.
What are the key properties of 1-cyclopropyl-2-methylindol-7-amine?
1-cyclopropyl-2-methylindol-7-amine has a molecular weight of 186.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylindol-7-amine is sourced from PubChem (CID 115017102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).