(1-cyclopropylindol-4-yl)methanamine

C12H14N2 — CID 115017108

IUPAC(1-cyclopropylindol-4-yl)methanamine
SMILESNCc1cccc2c1ccn2C1CC1
InChIInChI=1S/C12H14N2/c13-8-9-2-1-3-12-11(9)6-7-14(12)10-4-5-10/h1-3,6-7,10H,4-5,8,13H2
InChIKeyOMLPYRSJVOSKCV-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.43
Rot. Bonds2

About (1-cyclopropylindol-4-yl)methanamine

(1-cyclopropylindol-4-yl)methanamine (PubChem CID 115017108) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (1-cyclopropylindol-4-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopropylindol-4-yl)methanamine
PubChem CID115017108
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(1-cyclopropylindol-4-yl)methanamine
SMILESNCc1cccc2c1ccn2C1CC1
InChIInChI=1S/C12H14N2/c13-8-9-2-1-3-12-11(9)6-7-14(12)10-4-5-10/h1-3,6-7,10H,4-5,8,13H2
InChIKeyOMLPYRSJVOSKCV-UHFFFAOYSA-N
XLogP2.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-cyclopropylindol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylindol-4-yl)methanamine?
The IUPAC name of (1-cyclopropylindol-4-yl)methanamine (CID 115017108) is (1-cyclopropylindol-4-yl)methanamine.
What is the SMILES notation for (1-cyclopropylindol-4-yl)methanamine?
The canonical SMILES for (1-cyclopropylindol-4-yl)methanamine is NCc1cccc2c1ccn2C1CC1.
What is the InChIKey of (1-cyclopropylindol-4-yl)methanamine?
The InChIKey is OMLPYRSJVOSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-8-9-2-1-3-12-11(9)6-7-14(12)10-4-5-10/h1-3,6-7,10H,4-5,8,13H2.
What are the key properties of (1-cyclopropylindol-4-yl)methanamine?
(1-cyclopropylindol-4-yl)methanamine has a molecular weight of 186.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylindol-4-yl)methanamine is sourced from PubChem (CID 115017108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).