N'-butan-2-yl-N,N-dimethylmethanimidamide

C7H16N2 — CID 6432752

IUPACN'-butan-2-yl-N,N-dimethylmethanimidamide
SMILESCCC(C)/N=C/N(C)C
InChIInChI=1S/C7H16N2/c1-5-7(2)8-6-9(3)4/h6-7H,5H2,1-4H3/b8-6+
InChIKeyVUVGOMMSCMCRRG-SOFGYWHQSA-N
MW128.22 g/mol
LogP1.37
Rot. Bonds3

About N'-butan-2-yl-N,N-dimethylmethanimidamide

N'-butan-2-yl-N,N-dimethylmethanimidamide (PubChem CID 6432752) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-butan-2-yl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-N,N-dimethylmethanimidamide
PubChem CID6432752
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-butan-2-yl-N,N-dimethylmethanimidamide
SMILESCCC(C)/N=C/N(C)C
InChIInChI=1S/C7H16N2/c1-5-7(2)8-6-9(3)4/h6-7H,5H2,1-4H3/b8-6+
InChIKeyVUVGOMMSCMCRRG-SOFGYWHQSA-N
XLogP1.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
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'-butan-2-yl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-butan-2-yl-N,N-dimethylmethanimidamide (CID 6432752) is N'-butan-2-yl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-butan-2-yl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-butan-2-yl-N,N-dimethylmethanimidamide is CCC(C)/N=C/N(C)C.
What is the InChIKey of N'-butan-2-yl-N,N-dimethylmethanimidamide?
The InChIKey is VUVGOMMSCMCRRG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-7(2)8-6-9(3)4/h6-7H,5H2,1-4H3/b8-6+.
What are the key properties of N'-butan-2-yl-N,N-dimethylmethanimidamide?
N'-butan-2-yl-N,N-dimethylmethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 6432752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).