N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide

C25H40N2 — CID 15393138

IUPACN,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(=N\C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H40N2/c1-23(2,3)22(26-24-10-16-4-17(11-24)6-18(5-16)12-24)27-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,4-15H2,1-3H3,(H,26,27)
InChIKeyBQYCDESNICGMQC-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.96
Rot. Bonds2

About N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide

N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide (PubChem CID 15393138) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide
PubChem CID15393138
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC NameN,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(=N\C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H40N2/c1-23(2,3)22(26-24-10-16-4-17(11-24)6-18(5-16)12-24)27-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,4-15H2,1-3H3,(H,26,27)
InChIKeyBQYCDESNICGMQC-UHFFFAOYSA-N
XLogP5.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.96
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,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide (CID 15393138) is N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide is CC(C)(C)/C(=N\C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide?
The InChIKey is BQYCDESNICGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2/c1-23(2,3)22(26-24-10-16-4-17(11-24)6-18(5-16)12-24)27-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,4-15H2,1-3H3,(H,26,27).
What are the key properties of N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide?
N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide has a molecular weight of 368.61 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 15393138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).