N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine

C12H20N2O — CID 62344751

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCCc1ccc(CNC2CCN(C)C2)o1
InChIInChI=1S/C12H20N2O/c1-3-11-4-5-12(15-11)8-13-10-6-7-14(2)9-10/h4-5,10,13H,3,6-9H2,1-2H3
InChIKeyBGUNCAWMDSMNQB-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.64
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine

N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 62344751) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID62344751
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCCc1ccc(CNC2CCN(C)C2)o1
InChIInChI=1S/C12H20N2O/c1-3-11-4-5-12(15-11)8-13-10-6-7-14(2)9-10/h4-5,10,13H,3,6-9H2,1-2H3
InChIKeyBGUNCAWMDSMNQB-UHFFFAOYSA-N
XLogP1.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine
CID 115710716
N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine
CID 75426807
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62346349
methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 54950173
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468
3-[[(1-methylpyrrolidin-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103245535

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine (CID 62344751) is N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine is CCc1ccc(CNC2CCN(C)C2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is BGUNCAWMDSMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11-4-5-12(15-11)8-13-10-6-7-14(2)9-10/h4-5,10,13H,3,6-9H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine?
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 208.30 g/mol, XLogP of 1.64, 4 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-methylpyrrolidin-3-amine is sourced from PubChem (CID 62344751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).