2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide

C14H24N4O2 — CID 63584457

IUPAC2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCCN(CC)C1CCN(Cc2occc2C(=O)NN)C1
InChIInChI=1S/C14H24N4O2/c1-3-18(4-2)11-5-7-17(9-11)10-13-12(6-8-20-13)14(19)16-15/h6,8,11H,3-5,7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyWDUFLLZVWHAKNT-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.80
Rot. Bonds6

About 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide

2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (PubChem CID 63584457) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
PubChem CID63584457
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCCN(CC)C1CCN(Cc2occc2C(=O)NN)C1
InChIInChI=1S/C14H24N4O2/c1-3-18(4-2)11-5-7-17(9-11)10-13-12(6-8-20-13)14(19)16-15/h6,8,11H,3-5,7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyWDUFLLZVWHAKNT-UHFFFAOYSA-N
XLogP0.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 112629365
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 63583097
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]furan-3-carbohydrazide
CID 63585303
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (CID 63584457) is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is CCN(CC)C1CCN(Cc2occc2C(=O)NN)C1.
What is the InChIKey of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The InChIKey is WDUFLLZVWHAKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-18(4-2)11-5-7-17(9-11)10-13-12(6-8-20-13)14(19)16-15/h6,8,11H,3-5,7,9-10,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63584457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).