N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine

C14H24N2O — CID 79184609

IUPACN-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CC(C)C(C)C2)o1
InChIInChI=1S/C14H24N2O/c1-4-15-7-13-5-6-14(17-13)10-16-8-11(2)12(3)9-16/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyADWPZMBSCURGRX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.48
Rot. Bonds5

About N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine

N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 79184609) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
PubChem CID79184609
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CC(C)C(C)C2)o1
InChIInChI=1S/C14H24N2O/c1-4-15-7-13-5-6-14(17-13)10-16-8-11(2)12(3)9-16/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyADWPZMBSCURGRX-UHFFFAOYSA-N
XLogP2.48
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine (CID 79184609) is N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(CN2CC(C)C(C)C2)o1.
What is the InChIKey of N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is ADWPZMBSCURGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-15-7-13-5-6-14(17-13)10-16-8-11(2)12(3)9-16/h5-6,11-12,15H,4,7-10H2,1-3H3.
What are the key properties of N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 79184609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).