N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide

C10H19N3O — CID 77029735

IUPACN'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide
SMILESC#CC(C)(C)NCCCCC(N)=NO
InChIInChI=1S/C10H19N3O/c1-4-10(2,3)12-8-6-5-7-9(11)13-14/h1,12,14H,5-8H2,2-3H3,(H2,11,13)
InChIKeyKVABZNRMVQWEKG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.90
Rot. Bonds6

About N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide

N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide (PubChem CID 77029735) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide
PubChem CID77029735
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide
SMILESC#CC(C)(C)NCCCCC(N)=NO
InChIInChI=1S/C10H19N3O/c1-4-10(2,3)12-8-6-5-7-9(11)13-14/h1,12,14H,5-8H2,2-3H3,(H2,11,13)
InChIKeyKVABZNRMVQWEKG-UHFFFAOYSA-N
XLogP0.90
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.90
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-(2-methylbutan-2-ylamino)pentanimidamide
CID 77025525
N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
CID 77026148
6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol
CID 107703422
N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide
CID 106329372
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
CID 104864264
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide (CID 77029735) is N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide is C#CC(C)(C)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide?
The InChIKey is KVABZNRMVQWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-10(2,3)12-8-6-5-7-9(11)13-14/h1,12,14H,5-8H2,2-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide?
N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide is sourced from PubChem (CID 77029735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).