N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide

C13H29N3O — CID 77061807

IUPACN'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide
SMILESCC(C)CCC(C)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O/c1-10(2)6-7-11(3)15-9-8-13(4,5)12(14)16-17/h10-11,15,17H,6-9H2,1-5H3,(H2,14,16)
InChIKeyHQLQCYDYJCHTMM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.56
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide (PubChem CID 77061807) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide
PubChem CID77061807
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide
SMILESCC(C)CCC(C)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O/c1-10(2)6-7-11(3)15-9-8-13(4,5)12(14)16-17/h10-11,15,17H,6-9H2,1-5H3,(H2,14,16)
InChIKeyHQLQCYDYJCHTMM-UHFFFAOYSA-N
XLogP2.56
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide (CID 77061807) is N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide is CC(C)CCC(C)NCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide?
The InChIKey is HQLQCYDYJCHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(2)6-7-11(3)15-9-8-13(4,5)12(14)16-17/h10-11,15,17H,6-9H2,1-5H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide has a molecular weight of 243.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(5-methylhexan-2-ylamino)butanimidamide is sourced from PubChem (CID 77061807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).