N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide

C15H31N3O — CID 79350192

IUPACN'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
SMILESCC(C)(CCCNCC1C(C)(C)C1(C)C)C(N)=NO
InChIInChI=1S/C15H31N3O/c1-13(2,12(16)18-19)8-7-9-17-10-11-14(3,4)15(11,5)6/h11,17,19H,7-10H2,1-6H3,(H2,16,18)
InChIKeyLDLZBPWQKRBIRU-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.81
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide (PubChem CID 79350192) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
PubChem CID79350192
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
SMILESCC(C)(CCCNCC1C(C)(C)C1(C)C)C(N)=NO
InChIInChI=1S/C15H31N3O/c1-13(2,12(16)18-19)8-7-9-17-10-11-14(3,4)15(11,5)6/h11,17,19H,7-10H2,1-6H3,(H2,16,18)
InChIKeyLDLZBPWQKRBIRU-UHFFFAOYSA-N
XLogP2.81
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide (CID 79350192) is N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide is CC(C)(CCCNCC1C(C)(C)C1(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide?
The InChIKey is LDLZBPWQKRBIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2,12(16)18-19)8-7-9-17-10-11-14(3,4)15(11,5)6/h11,17,19H,7-10H2,1-6H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide has a molecular weight of 269.43 g/mol, XLogP of 2.81, 7 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-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide is sourced from PubChem (CID 79350192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).