4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide

C9H15N3O2 — CID 77029971

IUPAC4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNCc1ccco1)=NO
InChIInChI=1S/C9H15N3O2/c10-9(12-13)4-1-5-11-7-8-3-2-6-14-8/h2-3,6,11,13H,1,4-5,7H2,(H2,10,12)
InChIKeyMWMYMHBSSOSFQU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.90
Rot. Bonds6

About 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide

4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide (PubChem CID 77029971) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
PubChem CID77029971
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNCc1ccco1)=NO
InChIInChI=1S/C9H15N3O2/c10-9(12-13)4-1-5-11-7-8-3-2-6-14-8/h2-3,6,11,13H,1,4-5,7H2,(H2,10,12)
InChIKeyMWMYMHBSSOSFQU-UHFFFAOYSA-N
XLogP0.90
TPSA83.78 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 ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
CID 16772157
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029542
3-(furan-2-ylmethylamino)propane-1-sulfinate
CID 174965777
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide (CID 77029971) is 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide is NC(CCCNCc1ccco1)=NO.
What is the InChIKey of 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide?
The InChIKey is MWMYMHBSSOSFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-9(12-13)4-1-5-11-7-8-3-2-6-14-8/h2-3,6,11,13H,1,4-5,7H2,(H2,10,12).
What are the key properties of 4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide?
4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide has a molecular weight of 197.24 g/mol, XLogP of 0.90, 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)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77029971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).