adamantane-1-carboximidamide

C11H18N2 — CID 2726503

IUPACadamantane-1-carboximidamide
SMILES[H]/N=C(\N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13)
InChIKeyUMSZZMYJNYFCNL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds1

About adamantane-1-carboximidamide

adamantane-1-carboximidamide (PubChem CID 2726503) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is adamantane-1-carboximidamide.

Molecular Properties

Compound Nameadamantane-1-carboximidamide
PubChem CID2726503
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameadamantane-1-carboximidamide
SMILES[H]/N=C(\N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13)
InChIKeyUMSZZMYJNYFCNL-UHFFFAOYSA-N
XLogP2.14
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboximidamide?
The IUPAC name of adamantane-1-carboximidamide (CID 2726503) is adamantane-1-carboximidamide.
What is the SMILES notation for adamantane-1-carboximidamide?
The canonical SMILES for adamantane-1-carboximidamide is [H]/N=C(\N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantane-1-carboximidamide?
The InChIKey is UMSZZMYJNYFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13).
What are the key properties of adamantane-1-carboximidamide?
adamantane-1-carboximidamide has a molecular weight of 178.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboximidamide is sourced from PubChem (CID 2726503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).