N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide

C14H31N3O — CID 106710729

IUPACN'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
SMILESCCCCCN(C)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O/c1-5-6-8-11-17(4)12-9-7-10-14(2,3)13(15)16-18/h18H,5-12H2,1-4H3,(H2,15,16)
InChIKeyPQEDBPVSCWDQJP-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.05
Rot. Bonds10

About N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide (PubChem CID 106710729) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
PubChem CID106710729
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
SMILESCCCCCN(C)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O/c1-5-6-8-11-17(4)12-9-7-10-14(2,3)13(15)16-18/h18H,5-12H2,1-4H3,(H2,15,16)
InChIKeyPQEDBPVSCWDQJP-UHFFFAOYSA-N
XLogP3.05
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 77063707
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710799
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
5-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985
N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
CID 77063572
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710901
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106711667
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710790

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide (CID 106710729) is N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide is CCCCCN(C)CCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide?
The InChIKey is PQEDBPVSCWDQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-6-8-11-17(4)12-9-7-10-14(2,3)13(15)16-18/h18H,5-12H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide has a molecular weight of 257.42 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide is sourced from PubChem (CID 106710729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).