1-methylindole;N-prop-2-enylprop-2-en-1-amine

C15H20N2 — CID 68614533

IUPAC1-methylindole;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C6H11N/c1-10-7-6-8-4-2-3-5-9(8)10;1-3-5-7-6-4-2/h2-7H,1H3;3-4,7H,1-2,5-6H2
InChIKeyWPBXPHUAEOLIHB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.13
Rot. Bonds4

About 1-methylindole;N-prop-2-enylprop-2-en-1-amine

1-methylindole;N-prop-2-enylprop-2-en-1-amine (PubChem CID 68614533) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-methylindole;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name1-methylindole;N-prop-2-enylprop-2-en-1-amine
PubChem CID68614533
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-methylindole;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C6H11N/c1-10-7-6-8-4-2-3-5-9(8)10;1-3-5-7-6-4-2/h2-7H,1H3;3-4,7H,1-2,5-6H2
InChIKeyWPBXPHUAEOLIHB-UHFFFAOYSA-N
XLogP3.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylindole;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 1-methylindole;N-prop-2-enylprop-2-en-1-amine (CID 68614533) is 1-methylindole;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 1-methylindole;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 1-methylindole;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.Cn1ccc2ccccc21.
What is the InChIKey of 1-methylindole;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is WPBXPHUAEOLIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C6H11N/c1-10-7-6-8-4-2-3-5-9(8)10;1-3-5-7-6-4-2/h2-7H,1H3;3-4,7H,1-2,5-6H2.
What are the key properties of 1-methylindole;N-prop-2-enylprop-2-en-1-amine?
1-methylindole;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 68614533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).