2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide

C11H26N4O — CID 77032173

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide
SMILESCCC(NC(CN(C)C)C(C)C)C(N)=NO
InChIInChI=1S/C11H26N4O/c1-6-9(11(12)14-16)13-10(8(2)3)7-15(4)5/h8-10,13,16H,6-7H2,1-5H3,(H2,12,14)
InChIKeyYKXICAZDKMADIW-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.69
Rot. Bonds7

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide (PubChem CID 77032173) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide
PubChem CID77032173
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide
SMILESCCC(NC(CN(C)C)C(C)C)C(N)=NO
InChIInChI=1S/C11H26N4O/c1-6-9(11(12)14-16)13-10(8(2)3)7-15(4)5/h8-10,13,16H,6-7H2,1-5H3,(H2,12,14)
InChIKeyYKXICAZDKMADIW-UHFFFAOYSA-N
XLogP0.69
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide (CID 77032173) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide is CCC(NC(CN(C)C)C(C)C)C(N)=NO.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide?
The InChIKey is YKXICAZDKMADIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-6-9(11(12)14-16)13-10(8(2)3)7-15(4)5/h8-10,13,16H,6-7H2,1-5H3,(H2,12,14).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide has a molecular weight of 230.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77032173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).