[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine

C16H23N3 — CID 115311556

IUPAC[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCCn1cc(CN2CCCC2CN)c2ccccc21
InChIInChI=1S/C16H23N3/c1-2-18-11-13(15-7-3-4-8-16(15)18)12-19-9-5-6-14(19)10-17/h3-4,7-8,11,14H,2,5-6,9-10,12,17H2,1H3
InChIKeyOWFQCOGMQVYEIQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.58
Rot. Bonds4

About [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine

[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115311556) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID115311556
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCCn1cc(CN2CCCC2CN)c2ccccc21
InChIInChI=1S/C16H23N3/c1-2-18-11-13(15-7-3-4-8-16(15)18)12-19-9-5-6-14(19)10-17/h3-4,7-8,11,14H,2,5-6,9-10,12,17H2,1H3
InChIKeyOWFQCOGMQVYEIQ-UHFFFAOYSA-N
XLogP2.58
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056473
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732606
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 124830690
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
CID 124821762
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine (CID 115311556) is [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine is CCn1cc(CN2CCCC2CN)c2ccccc21.
What is the InChIKey of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is OWFQCOGMQVYEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-18-11-13(15-7-3-4-8-16(15)18)12-19-9-5-6-14(19)10-17/h3-4,7-8,11,14H,2,5-6,9-10,12,17H2,1H3.
What are the key properties of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).