N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide

C12H18N2O2 — CID 115456771

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2(CN)CC2)o1
InChIInChI=1S/C12H18N2O2/c1-2-9-3-4-10(16-9)11(15)14-8-12(7-13)5-6-12/h3-4H,2,5-8,13H2,1H3,(H,14,15)
InChIKeyWZONQRCLCRYXPN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide (PubChem CID 115456771) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
PubChem CID115456771
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2(CN)CC2)o1
InChIInChI=1S/C12H18N2O2/c1-2-9-3-4-10(16-9)11(15)14-8-12(7-13)5-6-12/h3-4H,2,5-8,13H2,1H3,(H,14,15)
InChIKeyWZONQRCLCRYXPN-UHFFFAOYSA-N
XLogP1.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-ethylfuran-2-carboxamide
CID 47031293
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 115360097
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391
5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 122559983
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
5-ethyl-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764668
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide (CID 115456771) is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCC2(CN)CC2)o1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide?
The InChIKey is WZONQRCLCRYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-3-4-10(16-9)11(15)14-8-12(7-13)5-6-12/h3-4H,2,5-8,13H2,1H3,(H,14,15).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 115456771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).