N-ethyl-N-(furan-2-ylmethyl)ethanimidamide

C9H14N2O — CID 63172933

IUPACN-ethyl-N-(furan-2-ylmethyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC)Cc1ccco1
InChIInChI=1S/C9H14N2O/c1-3-11(8(2)10)7-9-5-4-6-12-9/h4-6,10H,3,7H2,1-2H3/b10-8+
InChIKeySPVKNVQIWJIITP-CSKARUKUSA-N
MW166.22 g/mol
LogP2.10
Rot. Bonds3

About N-ethyl-N-(furan-2-ylmethyl)ethanimidamide

N-ethyl-N-(furan-2-ylmethyl)ethanimidamide (PubChem CID 63172933) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)ethanimidamide
PubChem CID63172933
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC)Cc1ccco1
InChIInChI=1S/C9H14N2O/c1-3-11(8(2)10)7-9-5-4-6-12-9/h4-6,10H,3,7H2,1-2H3/b10-8+
InChIKeySPVKNVQIWJIITP-CSKARUKUSA-N
XLogP2.10
TPSA40.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N-(furan-2-ylmethyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine
CID 11971724
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
CID 115580733
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)ethanimidamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)ethanimidamide (CID 63172933) is N-ethyl-N-(furan-2-ylmethyl)ethanimidamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)ethanimidamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)ethanimidamide is [H]/N=C(\C)N(CC)Cc1ccco1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)ethanimidamide?
The InChIKey is SPVKNVQIWJIITP-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-11(8(2)10)7-9-5-4-6-12-9/h4-6,10H,3,7H2,1-2H3/b10-8+.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)ethanimidamide?
N-ethyl-N-(furan-2-ylmethyl)ethanimidamide has a molecular weight of 166.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)ethanimidamide is sourced from PubChem (CID 63172933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).