N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide

C12H25N3O2 — CID 104866639

IUPACN'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide
SMILESCC1(NCCC(C)(C)C(N)=NO)CCOCC1
InChIInChI=1S/C12H25N3O2/c1-11(2,10(13)15-16)4-7-14-12(3)5-8-17-9-6-12/h14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyIUZMXABIENRXBP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.31
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide (PubChem CID 104866639) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide
PubChem CID104866639
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide
SMILESCC1(NCCC(C)(C)C(N)=NO)CCOCC1
InChIInChI=1S/C12H25N3O2/c1-11(2,10(13)15-16)4-7-14-12(3)5-8-17-9-6-12/h14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyIUZMXABIENRXBP-UHFFFAOYSA-N
XLogP1.31
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
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'-hydroxy-4-(oxan-4-ylmethylamino)butanimidamide
CID 77027851
N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide
CID 77028056
N'-hydroxy-3-(oxan-4-ylmethylamino)butanimidamide
CID 77028057
N'-hydroxy-3-(oxan-4-ylamino)butanimidamide
CID 77028830
N'-hydroxy-2,2-dimethyl-4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 77061824
N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide
CID 77061960
N'-hydroxy-2,2-dimethyl-4-(oxan-3-ylamino)butanimidamide
CID 77062145
N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylamino)butanimidamide
CID 77062174
N'-hydroxy-2,2-dimethyl-4-(oxan-3-ylmethylamino)butanimidamide
CID 77062251
4-(3-ethoxypropylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062307
N'-hydroxy-4-(4-methoxybutan-2-ylamino)-2,2-dimethylbutanimidamide
CID 77062633
N'-hydroxy-2,2-dimethyl-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 77062980

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide (CID 104866639) is N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide is CC1(NCCC(C)(C)C(N)=NO)CCOCC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide?
The InChIKey is IUZMXABIENRXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2,10(13)15-16)4-7-14-12(3)5-8-17-9-6-12/h14,16H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(4-methyloxan-4-yl)amino]butanimidamide is sourced from PubChem (CID 104866639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).