[5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine

C16H23N3 — CID 117397204

IUPAC[5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1[nH]c2c(C3CC(CN)CN3C)cccc2c1C
InChIInChI=1S/C16H23N3/c1-10-11(2)18-16-13(10)5-4-6-14(16)15-7-12(8-17)9-19(15)3/h4-6,12,15,18H,7-9,17H2,1-3H3
InChIKeyIBALQNBDYMYLOA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.74
Rot. Bonds2

About [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117397204) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117397204
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1[nH]c2c(C3CC(CN)CN3C)cccc2c1C
InChIInChI=1S/C16H23N3/c1-10-11(2)18-16-13(10)5-4-6-14(16)15-7-12(8-17)9-19(15)3/h4-6,12,15,18H,7-9,17H2,1-3H3
InChIKeyIBALQNBDYMYLOA-UHFFFAOYSA-N
XLogP2.74
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine
CID 117436780
[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420365
[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117349921
[5-(2-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434116
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline
CID 117408815
[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117089
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol
CID 117396923
[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117405541

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117397204) is [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine is Cc1[nH]c2c(C3CC(CN)CN3C)cccc2c1C.
What is the InChIKey of [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is IBALQNBDYMYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10-11(2)18-16-13(10)5-4-6-14(16)15-7-12(8-17)9-19(15)3/h4-6,12,15,18H,7-9,17H2,1-3H3.
What are the key properties of [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117397204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).