N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide

C10H21N3O3 — CID 106101849

IUPACN'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1(O)CCOC1
InChIInChI=1S/C10H21N3O3/c1-2-8(5-9(11)13-15)12-6-10(14)3-4-16-7-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13)
InChIKeyRITOUYCCUDUXCH-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.36
Rot. Bonds6

About N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide

N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide (PubChem CID 106101849) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
PubChem CID106101849
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1(O)CCOC1
InChIInChI=1S/C10H21N3O3/c1-2-8(5-9(11)13-15)12-6-10(14)3-4-16-7-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13)
InChIKeyRITOUYCCUDUXCH-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': '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'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
CID 113349154
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100665
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]butanimidamide
CID 77056752
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide (CID 106101849) is N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide is CCC(CC(N)=NO)NCC1(O)CCOC1.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
The InChIKey is RITOUYCCUDUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-2-8(5-9(11)13-15)12-6-10(14)3-4-16-7-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide 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-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide is sourced from PubChem (CID 106101849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).