[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine

C14H23N3O — CID 63167064

IUPAC[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCC(N3CCCC3)C2)o1
InChIInChI=1S/C14H23N3O/c15-9-13-3-4-14(18-13)11-16-8-5-12(10-16)17-6-1-2-7-17/h3-4,12H,1-2,5-11,15H2
InChIKeyJJYVGYUTRDNYBN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.41
Rot. Bonds4

About [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine

[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 63167064) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID63167064
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCC(N3CCCC3)C2)o1
InChIInChI=1S/C14H23N3O/c15-9-13-3-4-14(18-13)11-16-8-5-12(10-16)17-6-1-2-7-17/h3-4,12H,1-2,5-11,15H2
InChIKeyJJYVGYUTRDNYBN-UHFFFAOYSA-N
XLogP1.41
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-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

(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438530
2-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925763
1-[[5-(aminomethyl)furan-2-yl]methyl]piperidin-4-ol
CID 82508099
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
2-bromo-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 115557190
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178
1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine
CID 77084530
4-chloro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 79583365
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77097347

Frequently Asked Questions

What is the IUPAC name of [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine (CID 63167064) is [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine is NCc1ccc(CN2CCC(N3CCCC3)C2)o1.
What is the InChIKey of [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is JJYVGYUTRDNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c15-9-13-3-4-14(18-13)11-16-8-5-12(10-16)17-6-1-2-7-17/h3-4,12H,1-2,5-11,15H2.
What are the key properties of [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine?
[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 63167064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).