N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane

C9H18N2 — CID 153402092

IUPACN-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane
SMILESCC.[H]/N=C/N=C/C(C)(C)C=C
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(2,3)5-9-6-8;1-2/h4-6,8H,1H2,2-3H3;1-2H3/b8-6+,9-5+;
InChIKeyZHGFRZYUGSOWHQ-DGQWEVPXSA-N
MW154.26 g/mol
LogP2.90
Rot. Bonds3

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

N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane (PubChem CID 153402092) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane
PubChem CID153402092
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane
SMILESCC.[H]/N=C/N=C/C(C)(C)C=C
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(2,3)5-9-6-8;1-2/h4-6,8H,1H2,2-3H3;1-2H3/b8-6+,9-5+;
InChIKeyZHGFRZYUGSOWHQ-DGQWEVPXSA-N
XLogP2.90
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.90
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'}, {'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)methanimidamide;ethane?
The IUPAC name of N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane (CID 153402092) is N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane.
What is the SMILES notation for N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane?
The canonical SMILES for N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane is CC.[H]/N=C/N=C/C(C)(C)C=C.
What is the InChIKey of N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane?
The InChIKey is ZHGFRZYUGSOWHQ-DGQWEVPXSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-7(2,3)5-9-6-8;1-2/h4-6,8H,1H2,2-3H3;1-2H3/b8-6+,9-5+;.
What are the key properties of N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane?
N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane has a molecular weight of 154.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbut-3-enylidene)methanimidamide;ethane is sourced from PubChem (CID 153402092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).