3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide

C14H30N4O2 — CID 106711562

IUPAC3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H30N4O2/c1-11(2)17-12(19)7-10-16-9-6-5-8-14(3,4)13(15)18-20/h11,16,20H,5-10H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyKRMDTIUYFPOVHO-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.43
Rot. Bonds10

About 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide

3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide (PubChem CID 106711562) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
PubChem CID106711562
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H30N4O2/c1-11(2)17-12(19)7-10-16-9-6-5-8-14(3,4)13(15)18-20/h11,16,20H,5-10H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyKRMDTIUYFPOVHO-UHFFFAOYSA-N
XLogP1.43
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.43
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-(2-methylpropyl)propanamide
CID 106711564
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
CID 106711613
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide (CID 106711562) is 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is KRMDTIUYFPOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-11(2)17-12(19)7-10-16-9-6-5-8-14(3,4)13(15)18-20/h11,16,20H,5-10H2,1-4H3,(H2,15,18)(H,17,19).
What are the key properties of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide?
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 1.43, 10 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-propan-2-ylpropanamide is sourced from PubChem (CID 106711562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).