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

C16H28N2 — CID 11470673

IUPACN'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide
SMILESC/C(N)=N\CCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H28N2/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)
InChIKeyKOCQHGOHBLIEPJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.75
Rot. Bonds3

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

N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide (PubChem CID 11470673) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide
PubChem CID11470673
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide
SMILESC/C(N)=N\CCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H28N2/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)
InChIKeyKOCQHGOHBLIEPJ-UHFFFAOYSA-N
XLogP3.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.75
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?
The IUPAC name of N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide (CID 11470673) is N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide is C/C(N)=N\CCC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide?
The InChIKey is KOCQHGOHBLIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/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).
What are the key properties of N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide?
N'-[2-(3,5-dimethyl-1-adamantyl)ethyl]ethanimidamide has a molecular weight of 248.41 g/mol, XLogP of 3.75, 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 is sourced from PubChem (CID 11470673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).