3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide

C18H31N5O2 — CID 111008887

IUPAC3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C18H31N5O2/c1-4-20-17(22-13-18(2,3)16(19)24)21-12-14(15-8-7-11-25-15)23-9-5-6-10-23/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H2,19,24)(H2,20,21,22)
InChIKeyUWFNGVLUQIQGDY-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.48
Rot. Bonds8

About 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide

3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 111008887) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide
PubChem CID111008887
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C18H31N5O2/c1-4-20-17(22-13-18(2,3)16(19)24)21-12-14(15-8-7-11-25-15)23-9-5-6-10-23/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H2,19,24)(H2,20,21,22)
InChIKeyUWFNGVLUQIQGDY-UHFFFAOYSA-N
XLogP1.48
TPSA95.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111305053
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111304741
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305090
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine;hydroiodide
CID 111663282
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
N-benzyl-2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide
CID 111304523
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111006911
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257443
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111007768
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111007685
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111007073
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111007155

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide (CID 111008887) is 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide is CCN/C(=N\CC(C)(C)C(N)=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is UWFNGVLUQIQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-20-17(22-13-18(2,3)16(19)24)21-12-14(15-8-7-11-25-15)23-9-5-6-10-23/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H2,19,24)(H2,20,21,22).
What are the key properties of 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide?
3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 111008887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).