ethane;N-ethenyl-N',2-dimethylpropanimidamide

C9H20N2 — CID 142915747

IUPACethane;N-ethenyl-N',2-dimethylpropanimidamide
SMILESC=CN/C(=N/C)C(C)C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-5-9-7(8-4)6(2)3;1-2/h5-6H,1H2,2-4H3,(H,8,9);1-2H3
InChIKeyLNBNNFAOIPGFBS-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.43
Rot. Bonds2

About ethane;N-ethenyl-N',2-dimethylpropanimidamide

ethane;N-ethenyl-N',2-dimethylpropanimidamide (PubChem CID 142915747) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N-ethenyl-N',2-dimethylpropanimidamide.

Molecular Properties

Compound Nameethane;N-ethenyl-N',2-dimethylpropanimidamide
PubChem CID142915747
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N-ethenyl-N',2-dimethylpropanimidamide
SMILESC=CN/C(=N/C)C(C)C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-5-9-7(8-4)6(2)3;1-2/h5-6H,1H2,2-4H3,(H,8,9);1-2H3
InChIKeyLNBNNFAOIPGFBS-UHFFFAOYSA-N
XLogP2.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.43
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

N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide
CID 88590460
2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
3-methyl-2-[(3-methyl-1H-imidazole-1,3-diium-2-yl)methyl]-1H-imidazole-1,3-diium
CID 20776929
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
1,2-di(propan-2-yl)-1H-imidazol-1-ium chloride
CID 68424231
bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride
CID 70418563
1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride
CID 86652314
N-ethenyl-N',2-dimethylpropanimidamide
CID 89040593
2-Propan-2-yl-1,4-dihydropyrimidine
CID 90888073
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N-ethenyl-N'-methylpropanimidamide
CID 91077159
N-ethenyl-N'-methylhexanimidamide
CID 91275682

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N',2-dimethylpropanimidamide?
The IUPAC name of ethane;N-ethenyl-N',2-dimethylpropanimidamide (CID 142915747) is ethane;N-ethenyl-N',2-dimethylpropanimidamide.
What is the SMILES notation for ethane;N-ethenyl-N',2-dimethylpropanimidamide?
The canonical SMILES for ethane;N-ethenyl-N',2-dimethylpropanimidamide is C=CN/C(=N/C)C(C)C.CC.
What is the InChIKey of ethane;N-ethenyl-N',2-dimethylpropanimidamide?
The InChIKey is LNBNNFAOIPGFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-5-9-7(8-4)6(2)3;1-2/h5-6H,1H2,2-4H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-ethenyl-N',2-dimethylpropanimidamide?
ethane;N-ethenyl-N',2-dimethylpropanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N',2-dimethylpropanimidamide is sourced from PubChem (CID 142915747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).