N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine

C23H28N2 — CID 50915818

IUPACN,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine
SMILESCC(C)=CCn1cc(CN(C)C)c2cc(-c3cccc(C)c3)ccc21
InChIInChI=1S/C23H28N2/c1-17(2)11-12-25-16-21(15-24(4)5)22-14-20(9-10-23(22)25)19-8-6-7-18(3)13-19/h6-11,13-14,16H,12,15H2,1-5H3
InChIKeyZZUOQXSOWCZPNI-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.64
Rot. Bonds5

About N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine

N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine (PubChem CID 50915818) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine
PubChem CID50915818
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC NameN,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine
SMILESCC(C)=CCn1cc(CN(C)C)c2cc(-c3cccc(C)c3)ccc21
InChIInChI=1S/C23H28N2/c1-17(2)11-12-25-16-21(15-24(4)5)22-14-20(9-10-23(22)25)19-8-6-7-18(3)13-19/h6-11,13-14,16H,12,15H2,1-5H3
InChIKeyZZUOQXSOWCZPNI-UHFFFAOYSA-N
XLogP5.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine (CID 50915818) is N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine is CC(C)=CCn1cc(CN(C)C)c2cc(-c3cccc(C)c3)ccc21.
What is the InChIKey of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine?
The InChIKey is ZZUOQXSOWCZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-17(2)11-12-25-16-21(15-24(4)5)22-14-20(9-10-23(22)25)19-8-6-7-18(3)13-19/h6-11,13-14,16H,12,15H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine?
N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine has a molecular weight of 332.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine is sourced from PubChem (CID 50915818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).