N,N',3-trimethylbut-2-enimidamide

C7H14N2 — CID 142562655

IUPACN,N',3-trimethylbut-2-enimidamide
SMILESC/N=C(/C=C(C)C)NC
InChIInChI=1S/C7H14N2/c1-6(2)5-7(8-3)9-4/h5H,1-4H3,(H,8,9)
InChIKeyNGLOUTZKWATYNP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.20
Rot. Bonds1

About N,N',3-trimethylbut-2-enimidamide

N,N',3-trimethylbut-2-enimidamide (PubChem CID 142562655) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,N',3-trimethylbut-2-enimidamide.

Molecular Properties

Compound NameN,N',3-trimethylbut-2-enimidamide
PubChem CID142562655
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,N',3-trimethylbut-2-enimidamide
SMILESC/N=C(/C=C(C)C)NC
InChIInChI=1S/C7H14N2/c1-6(2)5-7(8-3)9-4/h5H,1-4H3,(H,8,9)
InChIKeyNGLOUTZKWATYNP-UHFFFAOYSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.20
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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Related Compounds

3-methyl-2H-pyrrol-5-amine
CID 58190614
(Z)-N,N'-dimethylbut-2-enimidamide
CID 58400962
N,N'-Dimethylacrylimidamide
CID 58478000
N,N'-dimethylbut-2-enimidamide
CID 73829471
(Z)-3-amino-N,N'-dimethylbut-2-enimidamide
CID 90453942
N',3-dimethylbut-2-enimidamide
CID 123874622
(Z)-N,N',2-trimethylbut-2-enimidamide
CID 124006339
3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide
CID 130433854
N,3-dimethyl-1,2-dihydropyrrol-5-imine
CID 136024635
(Z)-N-ethyl-N'-methylbut-2-enimidamide
CID 138737454
(Z)-N,N',3-trimethylpent-2-enimidamide
CID 142051323
N',3-dimethylbut-2-enimidamide;ethane
CID 142089104

Frequently Asked Questions

What is the IUPAC name of N,N',3-trimethylbut-2-enimidamide?
The IUPAC name of N,N',3-trimethylbut-2-enimidamide (CID 142562655) is N,N',3-trimethylbut-2-enimidamide.
What is the SMILES notation for N,N',3-trimethylbut-2-enimidamide?
The canonical SMILES for N,N',3-trimethylbut-2-enimidamide is C/N=C(/C=C(C)C)NC.
What is the InChIKey of N,N',3-trimethylbut-2-enimidamide?
The InChIKey is NGLOUTZKWATYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)5-7(8-3)9-4/h5H,1-4H3,(H,8,9).
What are the key properties of N,N',3-trimethylbut-2-enimidamide?
N,N',3-trimethylbut-2-enimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',3-trimethylbut-2-enimidamide is sourced from PubChem (CID 142562655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).