N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide

C10H23N3O — CID 106329372

IUPACN'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide
SMILESCCC(C)(CC)NCCCC(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-10(3,5-2)12-8-6-7-9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13)
InChIKeyKXLRLTFSUXBBKQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.68
Rot. Bonds7

About N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide

N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide (PubChem CID 106329372) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide
PubChem CID106329372
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide
SMILESCCC(C)(CC)NCCCC(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-10(3,5-2)12-8-6-7-9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13)
InChIKeyKXLRLTFSUXBBKQ-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.68
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
4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 77056368
N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide
CID 77029735
N'-hydroxy-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]butanimidamide
CID 105058316
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
CID 77027423
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide
CID 43128381
N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide
CID 77031889

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide (CID 106329372) is N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide is CCC(C)(CC)NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide?
The InChIKey is KXLRLTFSUXBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-10(3,5-2)12-8-6-7-9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide?
N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide is sourced from PubChem (CID 106329372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).