2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

C15H25N3O — CID 55160318

IUPAC2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(N3CCCC3)C2)o1
InChIInChI=1S/C15H25N3O/c1-12-4-5-15(19-12)14(10-16)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,13-14H,2-3,6-11,16H2,1H3
InChIKeyINROWCSBXRNLNG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 55160318) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID55160318
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(N3CCCC3)C2)o1
InChIInChI=1S/C15H25N3O/c1-12-4-5-15(19-12)14(10-16)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,13-14H,2-3,6-11,16H2,1H3
InChIKeyINROWCSBXRNLNG-UHFFFAOYSA-N
XLogP1.76
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
CID 62943169
1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171849
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
CID 114678005
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 79181910
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 79916470
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 103531012
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)ethanamine
CID 79931766
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
CID 81097156

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (CID 55160318) is 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is Cc1ccc(C(CN)N2CCC(N3CCCC3)C2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is INROWCSBXRNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-4-5-15(19-12)14(10-16)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,13-14H,2-3,6-11,16H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 55160318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).