4-(furan-2-ylmethylamino)butanehydrazide

C9H15N3O2 — CID 30031566

IUPAC4-(furan-2-ylmethylamino)butanehydrazide
SMILESNNC(=O)CCCNCc1ccco1
InChIInChI=1S/C9H15N3O2/c10-12-9(13)4-1-5-11-7-8-3-2-6-14-8/h2-3,6,11H,1,4-5,7,10H2,(H,12,13)
InChIKeyYCWBTVYESWTPFD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.14
Rot. Bonds6

About 4-(furan-2-ylmethylamino)butanehydrazide

4-(furan-2-ylmethylamino)butanehydrazide (PubChem CID 30031566) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)butanehydrazide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)butanehydrazide
PubChem CID30031566
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(furan-2-ylmethylamino)butanehydrazide
SMILESNNC(=O)CCCNCc1ccco1
InChIInChI=1S/C9H15N3O2/c10-12-9(13)4-1-5-11-7-8-3-2-6-14-8/h2-3,6,11H,1,4-5,7,10H2,(H,12,13)
InChIKeyYCWBTVYESWTPFD-UHFFFAOYSA-N
XLogP0.14
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
CID 77029971
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 109011813
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
(2E,4Z)-2-[1-[3-(furan-2-ylmethylamino)propylamino]propan-2-yl]hexa-2,4-dienehydrazide
CID 142215023
3-(furan-2-ylmethylamino)propane-1-sulfinate
CID 174965777
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)butanehydrazide?
The IUPAC name of 4-(furan-2-ylmethylamino)butanehydrazide (CID 30031566) is 4-(furan-2-ylmethylamino)butanehydrazide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)butanehydrazide?
The canonical SMILES for 4-(furan-2-ylmethylamino)butanehydrazide is NNC(=O)CCCNCc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethylamino)butanehydrazide?
The InChIKey is YCWBTVYESWTPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-12-9(13)4-1-5-11-7-8-3-2-6-14-8/h2-3,6,11H,1,4-5,7,10H2,(H,12,13).
What are the key properties of 4-(furan-2-ylmethylamino)butanehydrazide?
4-(furan-2-ylmethylamino)butanehydrazide has a molecular weight of 197.24 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)butanehydrazide is sourced from PubChem (CID 30031566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).