3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide

C10H22N4O2 — CID 106277761

IUPAC3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
SMILESCCC(CC(N)=NO)NCC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O2/c1-4-7(5-8(11)14-16)13-6-10(2,3)9(12)15/h7,13,16H,4-6H2,1-3H3,(H2,11,14)(H2,12,15)
InChIKeyLEJGFJWNAPTORQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.00
Rot. Bonds7

About 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide

3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106277761) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
PubChem CID106277761
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
SMILESCCC(CC(N)=NO)NCC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O2/c1-4-7(5-8(11)14-16)13-6-10(2,3)9(12)15/h7,13,16H,4-6H2,1-3H3,(H2,11,14)(H2,12,15)
InChIKeyLEJGFJWNAPTORQ-UHFFFAOYSA-N
XLogP0.00
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
CID 76953621
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide
CID 106276342
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
CID 77025369
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-ethylhexanamide
CID 76947816
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide (CID 106277761) is 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide is CCC(CC(N)=NO)NCC(C)(C)C(N)=O.
What is the InChIKey of 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is LEJGFJWNAPTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-4-7(5-8(11)14-16)13-6-10(2,3)9(12)15/h7,13,16H,4-6H2,1-3H3,(H2,11,14)(H2,12,15).
What are the key properties of 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide?
3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 0.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106277761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).