1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine

C13H22N2O — CID 63215705

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine
SMILESCC(N)C(c1ccco1)N1CCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-10(14)12(11-6-4-9-16-11)15-8-5-7-13(15,2)3/h4,6,9-10,12H,5,7-8,14H2,1-3H3
InChIKeyWGOJIVPUMWHXRW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds3

About 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine

1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine (PubChem CID 63215705) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine
PubChem CID63215705
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine
SMILESCC(N)C(c1ccco1)N1CCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-10(14)12(11-6-4-9-16-11)15-8-5-7-13(15,2)3/h4,6,9-10,12H,5,7-8,14H2,1-3H3
InChIKeyWGOJIVPUMWHXRW-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine (CID 63215705) is 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine is CC(N)C(c1ccco1)N1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine?
The InChIKey is WGOJIVPUMWHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(14)12(11-6-4-9-16-11)15-8-5-7-13(15,2)3/h4,6,9-10,12H,5,7-8,14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine?
1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 63215705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).