5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide

C12H18N2O2 — CID 103812746

IUPAC5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
SMILESCCCC1CC1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H18N2O2/c1-2-3-8-6-10(8)14-12(15)11-5-4-9(7-13)16-11/h4-5,8,10H,2-3,6-7,13H2,1H3,(H,14,15)
InChIKeyCFHTVRMXKZNANO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds5

About 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide

5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide (PubChem CID 103812746) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
PubChem CID103812746
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
SMILESCCCC1CC1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H18N2O2/c1-2-3-8-6-10(8)14-12(15)11-5-4-9(7-13)16-11/h4-5,8,10H,2-3,6-7,13H2,1H3,(H,14,15)
InChIKeyCFHTVRMXKZNANO-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide (CID 103812746) is 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide is CCCC1CC1NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide?
The InChIKey is CFHTVRMXKZNANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-8-6-10(8)14-12(15)11-5-4-9(7-13)16-11/h4-5,8,10H,2-3,6-7,13H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide?
5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide is sourced from PubChem (CID 103812746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).