N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide

C12H27N3O2 — CID 77063740

IUPACN'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide
SMILESCOCC(C)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-10(9-17-4)8-14-7-5-6-12(2,3)11(13)15-16/h10,14,16H,5-9H2,1-4H3,(H2,13,15)
InChIKeyFKVGPNWWDRCLMH-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.41
Rot. Bonds9

About N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 77063740) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide
PubChem CID77063740
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide
SMILESCOCC(C)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-10(9-17-4)8-14-7-5-6-12(2,3)11(13)15-16/h10,14,16H,5-9H2,1-4H3,(H2,13,15)
InChIKeyFKVGPNWWDRCLMH-UHFFFAOYSA-N
XLogP1.41
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.41
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-[(3-methoxy-2-methylpropyl)amino]-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-[(3-methoxy-2-methylpropyl)amino]pentanimidamide
CID 64335826
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
N'-hydroxy-5-(3-methoxypropylamino)pentanimidamide
CID 77027518
N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]pentanimidamide
CID 77030684
N'-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]pentanimidamide
CID 77030994
N'-hydroxy-4-[(3-methoxy-2-methylpropyl)amino]butanimidamide
CID 77031142
N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide
CID 77061809
N'-hydroxy-4-(2-methoxyethylamino)-2,2-dimethylbutanimidamide
CID 77061827
N'-hydroxy-4-(3-methoxypropylamino)-2,2-dimethylbutanimidamide
CID 77061989
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-(3-hydroxypropylamino)-2,2-dimethylbutanimidamide
CID 77062312

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide (CID 77063740) is N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide is COCC(C)CNCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is FKVGPNWWDRCLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-10(9-17-4)8-14-7-5-6-12(2,3)11(13)15-16/h10,14,16H,5-9H2,1-4H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(3-methoxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).