2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide

C11H19N3O2 — CID 63579097

IUPAC2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC)Cc1ccco1
InChIInChI=1S/C11H19N3O2/c1-3-10(11(15)13-12)14(4-2)8-9-6-5-7-16-9/h5-7,10H,3-4,8,12H2,1-2H3,(H,13,15)
InChIKeyMMGSWBOFCFKZOJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.87
Rot. Bonds6

About 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide

2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide (PubChem CID 63579097) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
PubChem CID63579097
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC)Cc1ccco1
InChIInChI=1S/C11H19N3O2/c1-3-10(11(15)13-12)14(4-2)8-9-6-5-7-16-9/h5-7,10H,3-4,8,12H2,1-2H3,(H,13,15)
InChIKeyMMGSWBOFCFKZOJ-UHFFFAOYSA-N
XLogP0.87
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.87
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-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
CID 62036820
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 63579462
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl(furan-2-ylmethyl)amino]propanamide
CID 124839669
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987
3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
CID 65062809

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide?
The IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide (CID 63579097) is 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide is CCC(C(=O)NN)N(CC)Cc1ccco1.
What is the InChIKey of 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide?
The InChIKey is MMGSWBOFCFKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-10(11(15)13-12)14(4-2)8-9-6-5-7-16-9/h5-7,10H,3-4,8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide?
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide has a molecular weight of 225.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 63579097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).