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

C15H32N4O2 — CID 106711557

IUPAC2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H32N4O2/c1-11(2)10-18-13(20)12(3)17-9-7-6-8-15(4,5)14(16)19-21/h11-12,17,21H,6-10H2,1-5H3,(H2,16,19)(H,18,20)
InChIKeyDXMLMMBAEKEWHI-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.68
Rot. Bonds10

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

2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 106711557) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID106711557
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H32N4O2/c1-11(2)10-18-13(20)12(3)17-9-7-6-8-15(4,5)14(16)19-21/h11-12,17,21H,6-10H2,1-5H3,(H2,16,19)(H,18,20)
InChIKeyDXMLMMBAEKEWHI-UHFFFAOYSA-N
XLogP1.68
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
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

2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
CID 106711556
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide
CID 77063133
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711564
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide
CID 103110710
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide
CID 113407004
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
N'-hydroxy-2,2-dimethyl-6-(4-methylhexan-2-ylamino)hexanimidamide
CID 106711358
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide (CID 106711557) is 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCCCCC(C)(C)C(N)=NO.
What is the InChIKey of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is DXMLMMBAEKEWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-11(2)10-18-13(20)12(3)17-9-7-6-8-15(4,5)14(16)19-21/h11-12,17,21H,6-10H2,1-5H3,(H2,16,19)(H,18,20).
What are the key properties of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide?
2-[(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, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106711557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).