3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide

C15H32N4O2 — CID 106711564

IUPAC3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H32N4O2/c1-12(2)11-18-13(20)7-10-17-9-6-5-8-15(3,4)14(16)19-21/h12,17,21H,5-11H2,1-4H3,(H2,16,19)(H,18,20)
InChIKeyVIISJKFBGKMERL-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.68
Rot. Bonds11

About 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide

3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 106711564) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID106711564
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H32N4O2/c1-12(2)11-18-13(20)7-10-17-9-6-5-8-15(3,4)14(16)19-21/h12,17,21H,5-11H2,1-4H3,(H2,16,19)(H,18,20)
InChIKeyVIISJKFBGKMERL-UHFFFAOYSA-N
XLogP1.68
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.68
H-Bond Donors ≤ 54
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'}

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Related Compounds

3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711557
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
CID 106711613
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide (CID 106711564) is 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is VIISJKFBGKMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-12(2)11-18-13(20)7-10-17-9-6-5-8-15(3,4)14(16)19-21/h12,17,21H,5-11H2,1-4H3,(H2,16,19)(H,18,20).
What are the key properties of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 300.45 g/mol, XLogP of 1.68, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106711564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).