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

C12H25N3O — CID 77030866

IUPAC3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1CCCCC1NCC(C)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-3-10-6-4-5-7-11(10)14-8-9(2)12(13)15-16/h9-11,14,16H,3-8H2,1-2H3,(H2,13,15)
InChIKeyDCVBAZQZZOXQJR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.93
Rot. Bonds5

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

3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77030866) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77030866
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1CCCCC1NCC(C)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-3-10-6-4-5-7-11(10)14-8-9(2)12(13)15-16/h9-11,14,16H,3-8H2,1-2H3,(H2,13,15)
InChIKeyDCVBAZQZZOXQJR-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
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

N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
CID 77028700
2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 77031616
1-cyclopentyl-2-[(2-ethylcyclopentyl)amino]ethanol
CID 115890580
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
CID 77050193
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
CID 77028829
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989604
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
2-N,2-N-diethyl-1-N-(2-ethylcyclopentyl)propane-1,2-diamine
CID 115708738
1-[(2-ethylcyclopentyl)amino]pentan-2-ol
CID 115719434
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
CID 77030977

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 77030866) is 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCC1CCCCC1NCC(C)C(N)=NO.
What is the InChIKey of 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DCVBAZQZZOXQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-10-6-4-5-7-11(10)14-8-9(2)12(13)15-16/h9-11,14,16H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77030866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).