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

C16H23N3 — CID 62068055

IUPAC[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCn1cc(CN2CCC(CN)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-2-19-12-14(15-5-3-4-6-16(15)19)11-18-8-7-13(9-17)10-18/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyXJQMCRIZORFWMS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.44
Rot. Bonds4

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

[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62068055) 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-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62068055
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCn1cc(CN2CCC(CN)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-2-19-12-14(15-5-3-4-6-16(15)19)11-18-8-7-13(9-17)10-18/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyXJQMCRIZORFWMS-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
CID 65418728
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556
2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 65069282
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
2-(1-ethylindol-3-yl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83976864

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine (CID 62068055) is [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine is CCn1cc(CN2CCC(CN)C2)c2ccccc21.
What is the InChIKey of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is XJQMCRIZORFWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-19-12-14(15-5-3-4-6-16(15)19)11-18-8-7-13(9-17)10-18/h3-6,12-13H,2,7-11,17H2,1H3.
What are the key properties of [1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.44, 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-3-yl]methanamine is sourced from PubChem (CID 62068055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).