4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide

C10H20N4O — CID 141283299

IUPAC4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESN/C(=N\O)C1CCC(N2CC(N)C2)CC1
InChIInChI=1S/C10H20N4O/c11-8-5-14(6-8)9-3-1-7(2-4-9)10(12)13-15/h7-9,15H,1-6,11H2,(H2,12,13)
InChIKeyBCLXUMLIPBBNHB-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.07
Rot. Bonds2

About 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide

4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide (PubChem CID 141283299) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide
PubChem CID141283299
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESN/C(=N\O)C1CCC(N2CC(N)C2)CC1
InChIInChI=1S/C10H20N4O/c11-8-5-14(6-8)9-3-1-7(2-4-9)10(12)13-15/h7-9,15H,1-6,11H2,(H2,12,13)
InChIKeyBCLXUMLIPBBNHB-UHFFFAOYSA-N
XLogP-0.07
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide (CID 141283299) is 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide is N/C(=N\O)C1CCC(N2CC(N)C2)CC1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide?
The InChIKey is BCLXUMLIPBBNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-8-5-14(6-8)9-3-1-7(2-4-9)10(12)13-15/h7-9,15H,1-6,11H2,(H2,12,13).
What are the key properties of 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide?
4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-N'-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 141283299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).