N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide

C10H21N3O3 — CID 106101846

IUPACN'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1(O)CCOC1)=NO
InChIInChI=1S/C10H21N3O3/c11-9(13-15)3-1-2-5-12-7-10(14)4-6-16-8-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyABZWOINVUBUQKW-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.36
Rot. Bonds7

About N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide

N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide (PubChem CID 106101846) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
PubChem CID106101846
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1(O)CCOC1)=NO
InChIInChI=1S/C10H21N3O3/c11-9(13-15)3-1-2-5-12-7-10(14)4-6-16-8-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyABZWOINVUBUQKW-UHFFFAOYSA-N
XLogP-0.36
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
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'}

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Related Compounds

3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
CID 81131310
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101849
5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
CID 81130543
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106100567
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide (CID 106101846) is N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide is NC(CCCCNCC1(O)CCOC1)=NO.
What is the InChIKey of N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
The InChIKey is ABZWOINVUBUQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c11-9(13-15)3-1-2-5-12-7-10(14)4-6-16-8-10/h12,14-15H,1-8H2,(H2,11,13).
What are the key properties of N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide?
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide is sourced from PubChem (CID 106101846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).