N'-ethyl-3,5-dimethyladamantane-1-carboximidamide

C15H26N2 — CID 79986725

IUPACN'-ethyl-3,5-dimethyladamantane-1-carboximidamide
SMILESCC/N=C(\N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H26N2/c1-4-17-12(16)15-7-11-5-13(2,9-15)8-14(3,6-11)10-15/h11H,4-10H2,1-3H3,(H2,16,17)
InChIKeyXSGCIXJDBMSPGA-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.36
Rot. Bonds2

About N'-ethyl-3,5-dimethyladamantane-1-carboximidamide

N'-ethyl-3,5-dimethyladamantane-1-carboximidamide (PubChem CID 79986725) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-ethyl-3,5-dimethyladamantane-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3,5-dimethyladamantane-1-carboximidamide
PubChem CID79986725
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-ethyl-3,5-dimethyladamantane-1-carboximidamide
SMILESCC/N=C(\N)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H26N2/c1-4-17-12(16)15-7-11-5-13(2,9-15)8-14(3,6-11)10-15/h11H,4-10H2,1-3H3,(H2,16,17)
InChIKeyXSGCIXJDBMSPGA-UHFFFAOYSA-N
XLogP3.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
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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Related Compounds

1-(1-Adamantylmethyl)guanidine
CID 23009798
Adamantane-1-carboxamidine
CID 2726503
N-[2-(3,5-dimethyladamantan-1-yl)ethyl]acetamidine
CID 11470673
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]gua-nidine
CID 21869081
N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride
CID 66839305
3,5-Dimethyl-1-adamantylguanidine
CID 44120601
2-[2-(3-Methyl-1-adamantyl)ethyl]guanidine
CID 3926851
[1-Adamantyl(amino)methylidene]azanium
CID 6338857
3-Methyladamantane-1-carboximidamide
CID 9815518
3,5,7-Trimethyladamantane-1-carboximidamide
CID 9815882
3,5-Dimethyladamantane-1-carboximidamide
CID 10176638
2-(3,5-Dimethyl-1-adamantyl)ethanimidamide
CID 10176835

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3,5-dimethyladamantane-1-carboximidamide?
The IUPAC name of N'-ethyl-3,5-dimethyladamantane-1-carboximidamide (CID 79986725) is N'-ethyl-3,5-dimethyladamantane-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3,5-dimethyladamantane-1-carboximidamide?
The canonical SMILES for N'-ethyl-3,5-dimethyladamantane-1-carboximidamide is CC/N=C(\N)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N'-ethyl-3,5-dimethyladamantane-1-carboximidamide?
The InChIKey is XSGCIXJDBMSPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-17-12(16)15-7-11-5-13(2,9-15)8-14(3,6-11)10-15/h11H,4-10H2,1-3H3,(H2,16,17).
What are the key properties of N'-ethyl-3,5-dimethyladamantane-1-carboximidamide?
N'-ethyl-3,5-dimethyladamantane-1-carboximidamide has a molecular weight of 234.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3,5-dimethyladamantane-1-carboximidamide is sourced from PubChem (CID 79986725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).