N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide

C10H21N3O3 — CID 106299256

IUPACN'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide
SMILESNC(CCCNC1(CO)CCOCC1)=NO
InChIInChI=1S/C10H21N3O3/c11-9(13-15)2-1-5-12-10(8-14)3-6-16-7-4-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyOFGQLNRLPCQDRK-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.36
Rot. Bonds6

About N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide

N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide (PubChem CID 106299256) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide
PubChem CID106299256
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide
SMILESNC(CCCNC1(CO)CCOCC1)=NO
InChIInChI=1S/C10H21N3O3/c11-9(13-15)2-1-5-12-10(8-14)3-6-16-7-4-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyOFGQLNRLPCQDRK-UHFFFAOYSA-N
XLogP-0.36
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide with MolForge

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
CID 106299226
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028028
N'-hydroxy-4-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77028663
N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methylamino]butanimidamide
CID 81131335
N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
CID 104866636
N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide
CID 104866637
N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866640
N'-hydroxy-4-[[1-(hydroxymethyl)cyclobutyl]amino]butanimidamide
CID 104873915
N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide
CID 106177173
N'-hydroxy-4-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide
CID 106177175
[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
CID 106297496
[4-(2,3,4,5-Tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
CID 106297711

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide (CID 106299256) is N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide is NC(CCCNC1(CO)CCOCC1)=NO.
What is the InChIKey of N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide?
The InChIKey is OFGQLNRLPCQDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c11-9(13-15)2-1-5-12-10(8-14)3-6-16-7-4-10/h12,14-15H,1-8H2,(H2,11,13).
What are the key properties of N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide?
N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide is sourced from PubChem (CID 106299256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).