1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide

C9H19N3O — CID 77052229

IUPAC1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
SMILESCCC1CCC(N)(C(N)=NO)CC1
InChIInChI=1S/C9H19N3O/c1-2-7-3-5-9(11,6-4-7)8(10)12-13/h7,13H,2-6,11H2,1H3,(H2,10,12)
InChIKeyPMFGIWRIJOZKBV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.03
Rot. Bonds2

About 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide

1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide (PubChem CID 77052229) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
PubChem CID77052229
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
SMILESCCC1CCC(N)(C(N)=NO)CC1
InChIInChI=1S/C9H19N3O/c1-2-7-3-5-9(11,6-4-7)8(10)12-13/h7,13H,2-6,11H2,1H3,(H2,10,12)
InChIKeyPMFGIWRIJOZKBV-UHFFFAOYSA-N
XLogP1.03
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide (CID 77052229) is 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide is CCC1CCC(N)(C(N)=NO)CC1.
What is the InChIKey of 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
The InChIKey is PMFGIWRIJOZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-7-3-5-9(11,6-4-7)8(10)12-13/h7,13H,2-6,11H2,1H3,(H2,10,12).
What are the key properties of 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 77052229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).