2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide

C11H19N3O2 — CID 77030711

IUPAC2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(CCc1ccco1)NC(C)C(N)=NO
InChIInChI=1S/C11H19N3O2/c1-8(13-9(2)11(12)14-15)5-6-10-4-3-7-16-10/h3-4,7-9,13,15H,5-6H2,1-2H3,(H2,12,14)
InChIKeyOLBUAOVMPRRLBB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide

2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 77030711) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID77030711
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(CCc1ccco1)NC(C)C(N)=NO
InChIInChI=1S/C11H19N3O2/c1-8(13-9(2)11(12)14-15)5-6-10-4-3-7-16-10/h3-4,7-9,13,15H,5-6H2,1-2H3,(H2,12,14)
InChIKeyOLBUAOVMPRRLBB-UHFFFAOYSA-N
XLogP1.33
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77029406
2-[[4-(furan-2-yl)butan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032802
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
CID 60677139
N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
CID 115725476
1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
CID 64872844
N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80598644
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953465
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide (CID 77030711) is 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide is CC(CCc1ccco1)NC(C)C(N)=NO.
What is the InChIKey of 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is OLBUAOVMPRRLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(13-9(2)11(12)14-15)5-6-10-4-3-7-16-10/h3-4,7-9,13,15H,5-6H2,1-2H3,(H2,12,14).
What are the key properties of 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide?
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 225.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77030711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).