3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C12H25N3O — CID 43367909

IUPAC3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H25N3O/c1-3-15(9-10(2)12(13)14-16)11-7-5-4-6-8-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRNLHRIPLADXJCO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.02
Rot. Bonds5

About 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43367909) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID43367909
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H25N3O/c1-3-15(9-10(2)12(13)14-16)11-7-5-4-6-8-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRNLHRIPLADXJCO-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[[cyclohexyl(ethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369223
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
3-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61451610
1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
N,N-diethylcycloundecanamine
CID 163828609
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
CID 54991840
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278
1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
CID 43541297

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 43367909) is 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)/C(N)=N/O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is RNLHRIPLADXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-15(9-10(2)12(13)14-16)11-7-5-4-6-8-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43367909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).