2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide

C9H19N3O — CID 136598188

IUPAC2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
SMILESCCCCC/N=C(/C=NO)N(C)C
InChIInChI=1S/C9H19N3O/c1-4-5-6-7-10-9(8-11-13)12(2)3/h8,13H,4-7H2,1-3H3/b10-9-,11-8?
InChIKeyFGGDEBNQOUZMTE-LRYJFLPDSA-N
MW185.27 g/mol
LogP1.60
Rot. Bonds5

About 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide

2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide (PubChem CID 136598188) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide.

Molecular Properties

Compound Name2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
PubChem CID136598188
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
SMILESCCCCC/N=C(/C=NO)N(C)C
InChIInChI=1S/C9H19N3O/c1-4-5-6-7-10-9(8-11-13)12(2)3/h8,13H,4-7H2,1-3H3/b10-9-,11-8?
InChIKeyFGGDEBNQOUZMTE-LRYJFLPDSA-N
XLogP1.60
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
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

2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride
CID 136598189
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
carbonic acid;N,N-dimethyl-N'-octylethanimidamide
CID 173151477
carbonic acid;N'-hexyl-N,N-dimethylethanimidamide
CID 173151515
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine
CID 159110043
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
1-N-ethyl-2-N-pentylbutane-1,2-diimine
CID 91053831
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
2-dodecyliminopropanedioic acid
CID 10290398

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide?
The IUPAC name of 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide (CID 136598188) is 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide.
What is the SMILES notation for 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide?
The canonical SMILES for 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide is CCCCC/N=C(/C=NO)N(C)C.
What is the InChIKey of 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide?
The InChIKey is FGGDEBNQOUZMTE-LRYJFLPDSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-5-6-7-10-9(8-11-13)12(2)3/h8,13H,4-7H2,1-3H3/b10-9-,11-8?.
What are the key properties of 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide?
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide is sourced from PubChem (CID 136598188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).