N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide

C8H15N3O — CID 77026148

IUPACN'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
SMILESC#CCNCCCCC(N)=NO
InChIInChI=1S/C8H15N3O/c1-2-6-10-7-4-3-5-8(9)11-12/h1,10,12H,3-7H2,(H2,9,11)
InChIKeyDINQBRRTOUYTPB-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.13
Rot. Bonds6

About N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide

N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide (PubChem CID 77026148) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
PubChem CID77026148
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
SMILESC#CCNCCCCC(N)=NO
InChIInChI=1S/C8H15N3O/c1-2-6-10-7-4-3-5-8(9)11-12/h1,10,12H,3-7H2,(H2,9,11)
InChIKeyDINQBRRTOUYTPB-UHFFFAOYSA-N
XLogP0.13
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
CID 104864264
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide
CID 77029735
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
CID 104867252

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide (CID 77026148) is N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide is C#CCNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide?
The InChIKey is DINQBRRTOUYTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-6-10-7-4-3-5-8(9)11-12/h1,10,12H,3-7H2,(H2,9,11).
What are the key properties of N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide?
N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide has a molecular weight of 169.23 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide is sourced from PubChem (CID 77026148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).