N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide

C8H14N2 — CID 123342325

IUPACN-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide
SMILESC=CC(C)(C)/C=N/C=N/C
InChIInChI=1S/C8H14N2/c1-5-8(2,3)6-10-7-9-4/h5-7H,1H2,2-4H3/b9-7+,10-6+
InChIKeyHVDLYMPIWWFHCH-IDXDHNASSA-N
MW138.21 g/mol
LogP1.93
Rot. Bonds3

About N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide

N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide (PubChem CID 123342325) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide
PubChem CID123342325
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide
SMILESC=CC(C)(C)/C=N/C=N/C
InChIInChI=1S/C8H14N2/c1-5-8(2,3)6-10-7-9-4/h5-7H,1H2,2-4H3/b9-7+,10-6+
InChIKeyHVDLYMPIWWFHCH-IDXDHNASSA-N
XLogP1.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.93
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,5-Dimethyl-1,3-diazepine
CID 89049693
N-but-3-enylidene-N'-methylmethanimidamide
CID 117981163
N,2,2-trimethylbut-3-en-1-imine
CID 123546655
2,5,5-Trimethyl-1,3-diazepine
CID 123614796
N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane
CID 142260647
4-Ethenyl-4,7,7-trimethyl-1,3,6-triazocine
CID 142867092
N-but-3-enylidene-N'-methylpropanimidamide
CID 143051286
1,5,5-Trimethyl-1,3-diazepin-1-ium
CID 145003298
N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane
CID 153402092
ethane;N,2,2-trimethylbut-3-en-1-imine
CID 155740741
N-(2,2-dimethylbut-3-enylidene)methanimidamide
CID 153402093

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide?
The IUPAC name of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide (CID 123342325) is N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide.
What is the SMILES notation for N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide?
The canonical SMILES for N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide is C=CC(C)(C)/C=N/C=N/C.
What is the InChIKey of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide?
The InChIKey is HVDLYMPIWWFHCH-IDXDHNASSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(2,3)6-10-7-9-4/h5-7H,1H2,2-4H3/b9-7+,10-6+.
What are the key properties of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide?
N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide is sourced from PubChem (CID 123342325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).