1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine

C13H22N2O — CID 63142842

IUPAC1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccco1)NCC1(C)CCNC1
InChIInChI=1S/C13H22N2O/c1-11(8-12-4-3-7-16-12)15-10-13(2)5-6-14-9-13/h3-4,7,11,14-15H,5-6,8-10H2,1-2H3
InChIKeyKCQZLLUBESIEOE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.80
Rot. Bonds5

About 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine

1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine (PubChem CID 63142842) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
PubChem CID63142842
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccco1)NCC1(C)CCNC1
InChIInChI=1S/C13H22N2O/c1-11(8-12-4-3-7-16-12)15-10-13(2)5-6-14-9-13/h3-4,7,11,14-15H,5-6,8-10H2,1-2H3
InChIKeyKCQZLLUBESIEOE-UHFFFAOYSA-N
XLogP1.80
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63133032
1-(furan-2-yl)-N-[1-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 43693033
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-(furan-2-yl)propan-2-amine
CID 81170029
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 63143229
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142896
3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
CID 65108451
2-(furan-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115830206
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 79527667

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine (CID 63142842) is 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine is CC(Cc1ccco1)NCC1(C)CCNC1.
What is the InChIKey of 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine?
The InChIKey is KCQZLLUBESIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(8-12-4-3-7-16-12)15-10-13(2)5-6-14-9-13/h3-4,7,11,14-15H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine?
1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 63142842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).