N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide

C11H24N2 — CID 104830077

IUPACN'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide
SMILESCC(/N=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-8(10(2,3)4)13-9(12)11(5,6)7/h8H,1-7H3,(H2,12,13)
InChIKeyZNMGTPXHLZAGKR-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.82
Rot. Bonds1

About N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide

N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide (PubChem CID 104830077) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide
PubChem CID104830077
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide
SMILESCC(/N=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-8(10(2,3)4)13-9(12)11(5,6)7/h8H,1-7H3,(H2,12,13)
InChIKeyZNMGTPXHLZAGKR-UHFFFAOYSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.82
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'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide (CID 104830077) is N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide is CC(/N=C(\N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide?
The InChIKey is ZNMGTPXHLZAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-8(10(2,3)4)13-9(12)11(5,6)7/h8H,1-7H3,(H2,12,13).
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide?
N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104830077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).