3-methyl-1H-indol-5-amine;1-methylpyrrolidine

C14H21N3 — CID 143475941

IUPAC3-methyl-1H-indol-5-amine;1-methylpyrrolidine
SMILESCN1CCCC1.Cc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C9H10N2.C5H11N/c1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-4-2-3-5-6/h2-5,11H,10H2,1H3;2-5H2,1H3
InChIKeyWQGDFEXMWFLQPA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds

About 3-methyl-1H-indol-5-amine;1-methylpyrrolidine

3-methyl-1H-indol-5-amine;1-methylpyrrolidine (PubChem CID 143475941) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-1H-indol-5-amine;1-methylpyrrolidine.

Molecular Properties

Compound Name3-methyl-1H-indol-5-amine;1-methylpyrrolidine
PubChem CID143475941
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-methyl-1H-indol-5-amine;1-methylpyrrolidine
SMILESCN1CCCC1.Cc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C9H10N2.C5H11N/c1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-4-2-3-5-6/h2-5,11H,10H2,1H3;2-5H2,1H3
InChIKeyWQGDFEXMWFLQPA-UHFFFAOYSA-N
XLogP2.77
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
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 3-methyl-1H-indol-5-amine;1-methylpyrrolidine?
The IUPAC name of 3-methyl-1H-indol-5-amine;1-methylpyrrolidine (CID 143475941) is 3-methyl-1H-indol-5-amine;1-methylpyrrolidine.
What is the SMILES notation for 3-methyl-1H-indol-5-amine;1-methylpyrrolidine?
The canonical SMILES for 3-methyl-1H-indol-5-amine;1-methylpyrrolidine is CN1CCCC1.Cc1c[nH]c2ccc(N)cc12.
What is the InChIKey of 3-methyl-1H-indol-5-amine;1-methylpyrrolidine?
The InChIKey is WQGDFEXMWFLQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C5H11N/c1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-4-2-3-5-6/h2-5,11H,10H2,1H3;2-5H2,1H3.
What are the key properties of 3-methyl-1H-indol-5-amine;1-methylpyrrolidine?
3-methyl-1H-indol-5-amine;1-methylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-indol-5-amine;1-methylpyrrolidine is sourced from PubChem (CID 143475941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).