N,N,N'-trimethylbutanimidamide

C7H16N2 — CID 13042447

IUPACN,N,N'-trimethylbutanimidamide
SMILESCCC/C(=N\C)N(C)C
InChIInChI=1S/C7H16N2/c1-5-6-7(8-2)9(3)4/h5-6H2,1-4H3/b8-7+
InChIKeyWLMCUPPRHBAQEQ-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.38
Rot. Bonds2

About N,N,N'-trimethylbutanimidamide

N,N,N'-trimethylbutanimidamide (PubChem CID 13042447) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N,N'-trimethylbutanimidamide.

Molecular Properties

Compound NameN,N,N'-trimethylbutanimidamide
PubChem CID13042447
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N,N'-trimethylbutanimidamide
SMILESCCC/C(=N\C)N(C)C
InChIInChI=1S/C7H16N2/c1-5-6-7(8-2)9(3)4/h5-6H2,1-4H3/b8-7+
InChIKeyWLMCUPPRHBAQEQ-BQYQJAHWSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.38
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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Related Compounds

N,N-Dimethyl-3,4-dihydro-2H-pyrrol-5-amine
CID 13447029
N,N-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 13447030
N'-Butyl-N,N-dimethyl-acetamidine
CID 525277
N'-Propyl-N,N-dimethyl-acetamidine
CID 525285
N,N-Dimethyl-N'-hexyl-propionamidine
CID 525841
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
N,N-Dimethyl-N'-butyl-propionamidine
CID 525837
N,N-Dimethyl-N'-pentyl-propionamidine
CID 525844
N,N-Dimethyl-N'-butyl-isobutyramidine
CID 525896
N,N-Dimethyl-N'-butyl-pivalamidine
CID 525897
(CH3)2N-C(C2H5)=N(i-C3H7)
CID 6431936

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethylbutanimidamide?
The IUPAC name of N,N,N'-trimethylbutanimidamide (CID 13042447) is N,N,N'-trimethylbutanimidamide.
What is the SMILES notation for N,N,N'-trimethylbutanimidamide?
The canonical SMILES for N,N,N'-trimethylbutanimidamide is CCC/C(=N\C)N(C)C.
What is the InChIKey of N,N,N'-trimethylbutanimidamide?
The InChIKey is WLMCUPPRHBAQEQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-6-7(8-2)9(3)4/h5-6H2,1-4H3/b8-7+.
What are the key properties of N,N,N'-trimethylbutanimidamide?
N,N,N'-trimethylbutanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethylbutanimidamide is sourced from PubChem (CID 13042447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).