N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

C14H24N2O — CID 62346349

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCc1ccc(CNCC2CCN(CC)C2)o1
InChIInChI=1S/C14H24N2O/c1-3-13-5-6-14(17-13)10-15-9-12-7-8-16(4-2)11-12/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyIOASZALVRYEQKK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (PubChem CID 62346349) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
PubChem CID62346349
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCc1ccc(CNCC2CCN(CC)C2)o1
InChIInChI=1S/C14H24N2O/c1-3-13-5-6-14(17-13)10-15-9-12-7-8-16(4-2)11-12/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyIOASZALVRYEQKK-UHFFFAOYSA-N
XLogP2.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (CID 62346349) is N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is CCc1ccc(CNCC2CCN(CC)C2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The InChIKey is IOASZALVRYEQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13-5-6-14(17-13)10-15-9-12-7-8-16(4-2)11-12/h5-6,12,15H,3-4,7-11H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62346349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).