1-amino-N'-hydroxycycloheptane-1-carboximidamide

C8H17N3O — CID 77052230

IUPAC1-amino-N'-hydroxycycloheptane-1-carboximidamide
SMILESNC(=NO)C1(N)CCCCCC1
InChIInChI=1S/C8H17N3O/c9-7(11-12)8(10)5-3-1-2-4-6-8/h12H,1-6,10H2,(H2,9,11)
InChIKeyJCFDFJQCNGMWKG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.78
Rot. Bonds1

About 1-amino-N'-hydroxycycloheptane-1-carboximidamide

1-amino-N'-hydroxycycloheptane-1-carboximidamide (PubChem CID 77052230) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-amino-N'-hydroxycycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-amino-N'-hydroxycycloheptane-1-carboximidamide
PubChem CID77052230
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-amino-N'-hydroxycycloheptane-1-carboximidamide
SMILESNC(=NO)C1(N)CCCCCC1
InChIInChI=1S/C8H17N3O/c9-7(11-12)8(10)5-3-1-2-4-6-8/h12H,1-6,10H2,(H2,9,11)
InChIKeyJCFDFJQCNGMWKG-UHFFFAOYSA-N
XLogP0.78
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.78
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-N'-hydroxycycloheptane-1-carboximidamide?
The IUPAC name of 1-amino-N'-hydroxycycloheptane-1-carboximidamide (CID 77052230) is 1-amino-N'-hydroxycycloheptane-1-carboximidamide.
What is the SMILES notation for 1-amino-N'-hydroxycycloheptane-1-carboximidamide?
The canonical SMILES for 1-amino-N'-hydroxycycloheptane-1-carboximidamide is NC(=NO)C1(N)CCCCCC1.
What is the InChIKey of 1-amino-N'-hydroxycycloheptane-1-carboximidamide?
The InChIKey is JCFDFJQCNGMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-7(11-12)8(10)5-3-1-2-4-6-8/h12H,1-6,10H2,(H2,9,11).
What are the key properties of 1-amino-N'-hydroxycycloheptane-1-carboximidamide?
1-amino-N'-hydroxycycloheptane-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N'-hydroxycycloheptane-1-carboximidamide is sourced from PubChem (CID 77052230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).