2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide

C11H19N3O2 — CID 63572711

IUPAC2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
SMILESCCCN(C)Cc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C11H19N3O2/c1-4-5-14(3)7-9-6-10(8(2)16-9)11(15)13-12/h6H,4-5,7,12H2,1-3H3,(H,13,15)
InChIKeyVEIKEZTUMNBEAR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds5

About 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide

2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63572711) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
PubChem CID63572711
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
SMILESCCCN(C)Cc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C11H19N3O2/c1-4-5-14(3)7-9-6-10(8(2)16-9)11(15)13-12/h6H,4-5,7,12H2,1-3H3,(H,13,15)
InChIKeyVEIKEZTUMNBEAR-UHFFFAOYSA-N
XLogP1.03
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,5-Dimethylfuran-3-carbohydrazide
CID 2360209
N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2529626
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxamide
CID 33809481
1-[(2,5-Dimethylfuran-3-carbonyl)amino]-3-(2-methylprop-2-enyl)thiourea
CID 2439353
N-ethyl-N-({5-methyl-4-[(8-methyl-2,8-diazaspiro[4.5]dec-2-yl)carbonyl]-2-furyl}methyl)ethanamine
CID 50979174
(3R)-1-{5-[(diethylamino)methyl]-2-methyl-3-furoyl}-3,4,4-trimethyl-3-pyrrolidinol
CID 72870428
2,5-dimethyl-N-(morpholin-4-yl)furan-3-carboxamide
CID 1244005
N,N-diethyl-2,5-dimethylfuran-3-carboxamide
CID 39949861
3-[1-(2,5-Dimethylfuran-3-YL)-N-ethylformamido]-N-pentylpropanamide
CID 4174716
3-[1-(2,5-Dimethylfuran-3-YL)-N-(3-methoxypropyl)formamido]-N-(2-methoxyethyl)propanamide
CID 4194623
N-Butyl-N-{3-[(2-methoxyethyl)amino]-3-oxopropyl}-2,5-dimethyl-3-furamide
CID 4205274
2,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]furan-3-carboxamide
CID 32498561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide (CID 63572711) is 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide is CCCN(C)Cc1cc(C(=O)NN)c(C)o1.
What is the InChIKey of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is VEIKEZTUMNBEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-14(3)7-9-6-10(8(2)16-9)11(15)13-12/h6H,4-5,7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 225.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63572711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).