N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide

C10H19N3O — CID 104864264

IUPACN'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
SMILESC#CCC(C)NCCCCC(N)=NO
InChIInChI=1S/C10H19N3O/c1-3-6-9(2)12-8-5-4-7-10(11)13-14/h1,9,12,14H,4-8H2,2H3,(H2,11,13)
InChIKeyNJTNNYWQLYEVEW-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.90
Rot. Bonds7

About N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide

N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide (PubChem CID 104864264) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
PubChem CID104864264
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
SMILESC#CCC(C)NCCCCC(N)=NO
InChIInChI=1S/C10H19N3O/c1-3-6-9(2)12-8-5-4-7-10(11)13-14/h1,9,12,14H,4-8H2,2H3,(H2,11,13)
InChIKeyNJTNNYWQLYEVEW-UHFFFAOYSA-N
XLogP0.90
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
CID 77026148
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
N'-hydroxy-4-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865883
N'-hydroxy-5-(octan-4-ylamino)pentanimidamide
CID 114137651
N-butylpent-4-yn-2-amine;ethane
CID 144551076
N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
CID 77029951
N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide
CID 77029735

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide (CID 104864264) is N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide is C#CCC(C)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide?
The InChIKey is NJTNNYWQLYEVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-6-9(2)12-8-5-4-7-10(11)13-14/h1,9,12,14H,4-8H2,2H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide?
N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide is sourced from PubChem (CID 104864264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).