2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide

C11H23N3O — CID 77031616

IUPAC2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide
SMILESCCC1CCCCC1NC(C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-3-9-6-4-5-7-10(9)13-8(2)11(12)14-15/h8-10,13,15H,3-7H2,1-2H3,(H2,12,14)
InChIKeyCBBNVXYNUFGBPA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.68
Rot. Bonds4

About 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide

2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77031616) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide
PubChem CID77031616
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide
SMILESCCC1CCCCC1NC(C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-3-9-6-4-5-7-10(9)13-8(2)11(12)14-15/h8-10,13,15H,3-7H2,1-2H3,(H2,12,14)
InChIKeyCBBNVXYNUFGBPA-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.68
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

2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide
CID 77050570
3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77030866
N'-hydroxy-2-[(2-methoxycyclopentyl)amino]propanimidamide
CID 77029665
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
N-[(1S)-1-cyclopentylethyl]-2-ethylcyclohexan-1-amine
CID 81386660
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine
CID 102868581
2-ethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 21355496
1-(2-ethylcyclohexyl)-2-methylguanidine
CID 62360103
N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide
CID 80719367
2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 79879008
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide (CID 77031616) is 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide is CCC1CCCCC1NC(C)C(N)=NO.
What is the InChIKey of 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is CBBNVXYNUFGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-9-6-4-5-7-10(9)13-8(2)11(12)14-15/h8-10,13,15H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77031616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).