N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride

C16H29ClN2 — CID 66839305

IUPACN'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\CCC12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C16H28N2.ClH/c1-12(17)18-5-4-16-8-13-6-14(2,10-16)9-15(3,7-13)11-16;/h13H,4-11H2,1-3H3,(H2,17,18);1H
InChIKeyVQDYWKYNFKAWCY-UHFFFAOYSA-N
MW284.87 g/mol
LogP4.17
Rot. Bonds3

About N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride

N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride (PubChem CID 66839305) has the molecular formula C16H29ClN2 and a molecular weight of 284.87 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride
PubChem CID66839305
Molecular FormulaC16H29ClN2
Molecular Weight284.87 g/mol
Exact Mass284.20
IUPAC NameN'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\CCC12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C16H28N2.ClH/c1-12(17)18-5-4-16-8-13-6-14(2,10-16)9-15(3,7-13)11-16;/h13H,4-11H2,1-3H3,(H2,17,18);1H
InChIKeyVQDYWKYNFKAWCY-UHFFFAOYSA-N
XLogP4.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.87
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride (CID 66839305) is N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride is C/C(N)=N\CCC12CC3CC(C)(CC(C)(C3)C1)C2.Cl.
What is the InChIKey of N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride?
The InChIKey is VQDYWKYNFKAWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2.ClH/c1-12(17)18-5-4-16-8-13-6-14(2,10-16)9-15(3,7-13)11-16;/h13H,4-11H2,1-3H3,(H2,17,18);1H.
What are the key properties of N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride?
N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride has a molecular weight of 284.87 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 66839305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).