N'-tert-butyladamantane-1-carboximidamide

C15H26N2 — CID 63181228

IUPACN'-tert-butyladamantane-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2/c1-14(2,3)17-13(16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H2,16,17)
InChIKeyWNDZREFAASFPLC-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.36
Rot. Bonds1

About N'-tert-butyladamantane-1-carboximidamide

N'-tert-butyladamantane-1-carboximidamide (PubChem CID 63181228) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-tert-butyladamantane-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyladamantane-1-carboximidamide
PubChem CID63181228
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-tert-butyladamantane-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2/c1-14(2,3)17-13(16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H2,16,17)
InChIKeyWNDZREFAASFPLC-UHFFFAOYSA-N
XLogP3.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyladamantane-1-carboximidamide?
The IUPAC name of N'-tert-butyladamantane-1-carboximidamide (CID 63181228) is N'-tert-butyladamantane-1-carboximidamide.
What is the SMILES notation for N'-tert-butyladamantane-1-carboximidamide?
The canonical SMILES for N'-tert-butyladamantane-1-carboximidamide is CC(C)(C)/N=C(\N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-tert-butyladamantane-1-carboximidamide?
The InChIKey is WNDZREFAASFPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2,3)17-13(16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H2,16,17).
What are the key properties of N'-tert-butyladamantane-1-carboximidamide?
N'-tert-butyladamantane-1-carboximidamide has a molecular weight of 234.39 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyladamantane-1-carboximidamide is sourced from PubChem (CID 63181228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).