N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide

C14H31N3O2 — CID 106148665

IUPACN'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCO)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-13(2,7-6-10-18)11-16-9-5-8-14(3,4)12(15)17-19/h16,18-19H,5-11H2,1-4H3,(H2,15,17)
InChIKeyNPCZHTHHFJLFJV-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.93
Rot. Bonds10

About N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 106148665) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
PubChem CID106148665
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC NameN'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCO)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-13(2,7-6-10-18)11-16-9-5-8-14(3,4)12(15)17-19/h16,18-19H,5-11H2,1-4H3,(H2,15,17)
InChIKeyNPCZHTHHFJLFJV-UHFFFAOYSA-N
XLogP1.93
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
CID 106148640
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106256717
N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
CID 79350192
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide (CID 106148665) is N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide is CC(C)(CCCO)CNCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is NPCZHTHHFJLFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-13(2,7-6-10-18)11-16-9-5-8-14(3,4)12(15)17-19/h16,18-19H,5-11H2,1-4H3,(H2,15,17).
What are the key properties of N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 273.42 g/mol, XLogP of 1.93, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 106148665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).