N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide

C8H15N3O — CID 77026270

IUPACN'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
SMILESC#CCNC(CC)CC(N)=NO
InChIInChI=1S/C8H15N3O/c1-3-5-10-7(4-2)6-8(9)11-12/h1,7,10,12H,4-6H2,2H3,(H2,9,11)
InChIKeyINBHWFYOIFDHLB-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.12
Rot. Bonds5

About N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide

N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide (PubChem CID 77026270) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
PubChem CID77026270
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
SMILESC#CCNC(CC)CC(N)=NO
InChIInChI=1S/C8H15N3O/c1-3-5-10-7(4-2)6-8(9)11-12/h1,7,10,12H,4-6H2,2H3,(H2,9,11)
InChIKeyINBHWFYOIFDHLB-UHFFFAOYSA-N
XLogP0.12
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide
CID 77031316
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
CID 77025369
3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
CID 106277761
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide (CID 77026270) is N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide is C#CCNC(CC)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide?
The InChIKey is INBHWFYOIFDHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-5-10-7(4-2)6-8(9)11-12/h1,7,10,12H,4-6H2,2H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide?
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide has a molecular weight of 169.23 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide is sourced from PubChem (CID 77026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).