3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide

C12H25N3O — CID 77054274

IUPAC3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide
SMILESCC1CC(C)CC(N(C)CCC(N)=NO)C1
InChIInChI=1S/C12H25N3O/c1-9-6-10(2)8-11(7-9)15(3)5-4-12(13)14-16/h9-11,16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyVGVHOJCDDTVZSD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.88
Rot. Bonds4

About 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide

3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide (PubChem CID 77054274) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide
PubChem CID77054274
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide
SMILESCC1CC(C)CC(N(C)CCC(N)=NO)C1
InChIInChI=1S/C12H25N3O/c1-9-6-10(2)8-11(7-9)15(3)5-4-12(13)14-16/h9-11,16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyVGVHOJCDDTVZSD-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide (CID 77054274) is 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide is CC1CC(C)CC(N(C)CCC(N)=NO)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is VGVHOJCDDTVZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-6-10(2)8-11(7-9)15(3)5-4-12(13)14-16/h9-11,16H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide?
3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77054274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).