2-(3,5-dimethyl-1-adamantyl)ethanimidamide

C14H24N2 — CID 10176835

IUPAC2-(3,5-dimethyl-1-adamantyl)ethanimidamide
SMILES[H]/N=C(\N)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H24N2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H3,15,16)
InChIKeyGMMHTADEBPYKDX-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.31
Rot. Bonds2

About 2-(3,5-dimethyl-1-adamantyl)ethanimidamide

2-(3,5-dimethyl-1-adamantyl)ethanimidamide (PubChem CID 10176835) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)ethanimidamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)ethanimidamide
PubChem CID10176835
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(3,5-dimethyl-1-adamantyl)ethanimidamide
SMILES[H]/N=C(\N)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H24N2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H3,15,16)
InChIKeyGMMHTADEBPYKDX-UHFFFAOYSA-N
XLogP3.31
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.31
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 2-(3,5-dimethyl-1-adamantyl)ethanimidamide?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)ethanimidamide (CID 10176835) is 2-(3,5-dimethyl-1-adamantyl)ethanimidamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)ethanimidamide?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)ethanimidamide is [H]/N=C(\N)CC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)ethanimidamide?
The InChIKey is GMMHTADEBPYKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H3,15,16).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)ethanimidamide?
2-(3,5-dimethyl-1-adamantyl)ethanimidamide has a molecular weight of 220.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)ethanimidamide is sourced from PubChem (CID 10176835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).