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

C10H20N2 — CID 142260647

IUPACN-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane
SMILESC=CC(C)(C)/C=N/C=N/C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-5-8(2,3)6-10-7-9-4;1-2/h5-7H,1H2,2-4H3;1-2H3/b9-7+,10-6+;
InChIKeyQGSCXZDVLMCSDA-YPRGKDSWSA-N
MW168.28 g/mol
LogP2.95
Rot. Bonds3

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

N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane (PubChem CID 142260647) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane
PubChem CID142260647
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane
SMILESC=CC(C)(C)/C=N/C=N/C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-5-8(2,3)6-10-7-9-4;1-2/h5-7H,1H2,2-4H3;1-2H3/b9-7+,10-6+;
InChIKeyQGSCXZDVLMCSDA-YPRGKDSWSA-N
XLogP2.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane?
The IUPAC name of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane (CID 142260647) is N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane.
What is the SMILES notation for N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane?
The canonical SMILES for N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane is C=CC(C)(C)/C=N/C=N/C.CC.
What is the InChIKey of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane?
The InChIKey is QGSCXZDVLMCSDA-YPRGKDSWSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-5-8(2,3)6-10-7-9-4;1-2/h5-7H,1H2,2-4H3;1-2H3/b9-7+,10-6+;.
What are the key properties of N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane?
N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide;ethane has a molecular weight of 168.28 g/mol, XLogP of 2.95, 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;ethane is sourced from PubChem (CID 142260647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).