5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide

C12H18N2O2 — CID 103809618

IUPAC5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(CN)o1)C1CC1
InChIInChI=1S/C12H18N2O2/c1-12(2,8-3-4-8)14-11(15)10-6-5-9(7-13)16-10/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyARWKIOYFINQKJM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds4

About 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide

5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide (PubChem CID 103809618) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
PubChem CID103809618
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(CN)o1)C1CC1
InChIInChI=1S/C12H18N2O2/c1-12(2,8-3-4-8)14-11(15)10-6-5-9(7-13)16-10/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyARWKIOYFINQKJM-UHFFFAOYSA-N
XLogP1.66
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
5-(aminomethyl)-N-cyclopentyloxyfuran-2-carboxamide
CID 83236233
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide
CID 103308429
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 83021104
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 107222112
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
CID 103812746
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475583
N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 119573183
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
CID 115741001
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide (CID 103809618) is 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide is CC(C)(NC(=O)c1ccc(CN)o1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide?
The InChIKey is ARWKIOYFINQKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,8-3-4-8)14-11(15)10-6-5-9(7-13)16-10/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide?
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 103809618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).