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

C10H21N3O — CID 77061805

IUPACN'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide
SMILESCC1CC1NCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-7-6-8(7)12-5-4-10(2,3)9(11)13-14/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13)
InChIKeyPCHQSDWBJVYMPI-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.15
Rot. Bonds5

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

N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide (PubChem CID 77061805) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide
PubChem CID77061805
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide
SMILESCC1CC1NCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-7-6-8(7)12-5-4-10(2,3)9(11)13-14/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13)
InChIKeyPCHQSDWBJVYMPI-UHFFFAOYSA-N
XLogP1.15
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.15
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-[(2-methylcyclopropyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide (CID 77061805) is N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide is CC1CC1NCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide?
The InChIKey is PCHQSDWBJVYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7-6-8(7)12-5-4-10(2,3)9(11)13-14/h7-8,12,14H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(2-methylcyclopropyl)amino]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.15, 5 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-[(2-methylcyclopropyl)amino]butanimidamide is sourced from PubChem (CID 77061805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).