[2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine

C16H22N2 — CID 66038552

IUPAC[2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine
SMILESC=C(CC)Cn1c(C)c(C)c2cc(CN)ccc21
InChIInChI=1S/C16H22N2/c1-5-11(2)10-18-13(4)12(3)15-8-14(9-17)6-7-16(15)18/h6-8H,2,5,9-10,17H2,1,3-4H3
InChIKeyWYINDSVZESHVCI-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.68
Rot. Bonds4

About [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine

[2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine (PubChem CID 66038552) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine
PubChem CID66038552
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name[2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine
SMILESC=C(CC)Cn1c(C)c(C)c2cc(CN)ccc21
InChIInChI=1S/C16H22N2/c1-5-11(2)10-18-13(4)12(3)15-8-14(9-17)6-7-16(15)18/h6-8H,2,5,9-10,17H2,1,3-4H3
InChIKeyWYINDSVZESHVCI-UHFFFAOYSA-N
XLogP3.68
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine?
The IUPAC name of [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine (CID 66038552) is [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine.
What is the SMILES notation for [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine?
The canonical SMILES for [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine is C=C(CC)Cn1c(C)c(C)c2cc(CN)ccc21.
What is the InChIKey of [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine?
The InChIKey is WYINDSVZESHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-11(2)10-18-13(4)12(3)15-8-14(9-17)6-7-16(15)18/h6-8H,2,5,9-10,17H2,1,3-4H3.
What are the key properties of [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine?
[2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-1-(2-methylidenebutyl)indol-5-yl]methanamine is sourced from PubChem (CID 66038552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).