N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide

C12H25N3 — CID 167052160

IUPACN-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide
SMILES[H]/N=C(/N=C(\N(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25N3/c1-11(2,3)9(13)14-10(15(7)8)12(4,5)6/h13H,1-8H3/b13-9+,14-10-
InChIKeyXVOWTNDIKVPWGY-ITAGJCAXSA-N
MW211.35 g/mol
LogP3.02
Rot. Bonds

About N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide

N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide (PubChem CID 167052160) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide
PubChem CID167052160
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide
SMILES[H]/N=C(/N=C(\N(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25N3/c1-11(2,3)9(13)14-10(15(7)8)12(4,5)6/h13H,1-8H3/b13-9+,14-10-
InChIKeyXVOWTNDIKVPWGY-ITAGJCAXSA-N
XLogP3.02
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.02
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-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide?
The IUPAC name of N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide (CID 167052160) is N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide?
The canonical SMILES for N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide is [H]/N=C(/N=C(\N(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide?
The InChIKey is XVOWTNDIKVPWGY-ITAGJCAXSA-N. The full InChI is InChI=1S/C12H25N3/c1-11(2,3)9(13)14-10(15(7)8)12(4,5)6/h13H,1-8H3/b13-9+,14-10-.
What are the key properties of N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide?
N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide has a molecular weight of 211.35 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 167052160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).