5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

C12H28N4O — CID 77063885

IUPAC5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)CCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H28N4O/c1-12(2,11(13)15-17)7-5-8-14-9-6-10-16(3)4/h14,17H,5-10H2,1-4H3,(H2,13,15)
InChIKeyCNUNPAISSJLELG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.08
Rot. Bonds9

About 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063885) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063885
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)CCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H28N4O/c1-12(2,11(13)15-17)7-5-8-14-9-6-10-16(3)4/h14,17H,5-10H2,1-4H3,(H2,13,15)
InChIKeyCNUNPAISSJLELG-UHFFFAOYSA-N
XLogP1.08
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
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

5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(2,2-dimethylhydrazinyl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83016411
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711210
N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106148665
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
CID 106339646
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063885) is 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is CN(C)CCCNCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is CNUNPAISSJLELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-12(2,11(13)15-17)7-5-8-14-9-6-10-16(3)4/h14,17H,5-10H2,1-4H3,(H2,13,15).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 244.38 g/mol, XLogP of 1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).