2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

C13H22N2O — CID 79181910

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)C(C)C2)o1
InChIInChI=1S/C13H22N2O/c1-9-7-15(8-10(9)2)12(6-14)13-5-4-11(3)16-13/h4-5,9-10,12H,6-8,14H2,1-3H3
InChIKeyKVLRGFGTTCYFII-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 79181910) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID79181910
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)C(C)C2)o1
InChIInChI=1S/C13H22N2O/c1-9-7-15(8-10(9)2)12(6-14)13-5-4-11(3)16-13/h4-5,9-10,12H,6-8,14H2,1-3H3
InChIKeyKVLRGFGTTCYFII-UHFFFAOYSA-N
XLogP2.18
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
CID 114678005
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 103531012
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
CID 62943169
2-(5-methylfuran-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742936
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
CID 81097156
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol
CID 82696659
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 103531861
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 114462186

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (CID 79181910) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)N2CC(C)C(C)C2)o1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is KVLRGFGTTCYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-7-15(8-10(9)2)12(6-14)13-5-4-11(3)16-13/h4-5,9-10,12H,6-8,14H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 79181910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).