N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide

C12H27N3O2 — CID 77063779

IUPACN'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide
SMILESCOCCCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-12(2,11(13)15-16)7-6-9-14-8-4-5-10-17-3/h14,16H,4-10H2,1-3H3,(H2,13,15)
InChIKeyXPGXNNXAAHBYEK-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.56
Rot. Bonds10

About N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide

N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide (PubChem CID 77063779) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide
PubChem CID77063779
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide
SMILESCOCCCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-12(2,11(13)15-16)7-6-9-14-8-4-5-10-17-3/h14,16H,4-10H2,1-3H3,(H2,13,15)
InChIKeyXPGXNNXAAHBYEK-UHFFFAOYSA-N
XLogP1.56
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide
CID 77032603
N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide
CID 77061809
N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide
CID 77061827
N'-hydroxy-2,2-dimethyl-4-(oxan-4-ylmethylamino)butanimidamide
CID 77061960
N'-hydroxy-4-(3-methoxypropylamino)-2,2-dimethylbutanimidamide
CID 77061989
4-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062147
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-4-(4-methoxybutylamino)-2,2-dimethylbutanimidamide
CID 77062650
N'-hydroxy-4-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylbutanimidamide
CID 77062691
N'-hydroxy-5-(4-methoxybutan-2-ylamino)-2,2-dimethylpentanimidamide
CID 77063118

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide (CID 77063779) is N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide is COCCCCNCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide?
The InChIKey is XPGXNNXAAHBYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-12(2,11(13)15-16)7-6-9-14-8-4-5-10-17-3/h14,16H,4-10H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide?
N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.56, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-methoxybutylamino)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).