N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide

C8H19N3O2 — CID 104867256

IUPACN'-hydroxy-3-(2-hydroxypentylamino)propanimidamide
SMILESCCCC(O)CNCCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-2-3-7(12)6-10-5-4-8(9)11-13/h7,10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyYKSFHAWDKWLSSV-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.13
Rot. Bonds7

About N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide

N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide (PubChem CID 104867256) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-hydroxypentylamino)propanimidamide
PubChem CID104867256
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-3-(2-hydroxypentylamino)propanimidamide
SMILESCCCC(O)CNCCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-2-3-7(12)6-10-5-4-8(9)11-13/h7,10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyYKSFHAWDKWLSSV-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
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

3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxybutylamino)methyl]propanimidamide
CID 103370194
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypentylamino)methyl]propanimidamide
CID 103370199
N'-hydroxy-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanimidamide
CID 105646676
N'-hydroxy-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanimidamide
CID 105646681
5-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxypentanimidamide
CID 105646716
3-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxypentanimidamide
CID 105646718
2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106286994
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-4-methylpentyl)amino]methyl]propanimidamide
CID 113923893
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxypentylamino)methyl]propanimidamide
CID 114148399
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)propanimidamide
CID 61434608
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 61434659
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)pentanimidamide
CID 61434660

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide (CID 104867256) is N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide is CCCC(O)CNCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide?
The InChIKey is YKSFHAWDKWLSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-2-3-7(12)6-10-5-4-8(9)11-13/h7,10,12-13H,2-6H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide?
N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide is sourced from PubChem (CID 104867256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).