ethane;N-ethenyl-N'-methylethanimidamide;propane

C10H24N2 — CID 176961852

IUPACethane;N-ethenyl-N'-methylethanimidamide;propane
SMILESC=CN/C(C)=N/C.CC.CCC
InChIInChI=1S/C5H10N2.C3H8.C2H6/c1-4-7-5(2)6-3;1-3-2;1-2/h4H,1H2,2-3H3,(H,6,7);3H2,1-2H3;1-2H3
InChIKeyRWZIURIJXPBYPR-UHFFFAOYSA-N
MW172.32 g/mol
LogP3.21
Rot. Bonds1

About ethane;N-ethenyl-N'-methylethanimidamide;propane

ethane;N-ethenyl-N'-methylethanimidamide;propane (PubChem CID 176961852) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is ethane;N-ethenyl-N'-methylethanimidamide;propane.

Molecular Properties

Compound Nameethane;N-ethenyl-N'-methylethanimidamide;propane
PubChem CID176961852
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Nameethane;N-ethenyl-N'-methylethanimidamide;propane
SMILESC=CN/C(C)=N/C.CC.CCC
InChIInChI=1S/C5H10N2.C3H8.C2H6/c1-4-7-5(2)6-3;1-3-2;1-2/h4H,1H2,2-3H3,(H,6,7);3H2,1-2H3;1-2H3
InChIKeyRWZIURIJXPBYPR-UHFFFAOYSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 53.21
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

1,2-Dimethylimidazolium chloride
CID 66809752
2-methyl-1H-imidazol-1-ium
CID 19047642
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
CID 66874945
1,2-dimethyl-1H-imidazol-1-ium iodide
CID 67060368
1,2-dimethyl-1H-imidazol-1-ium bromide
CID 70301848
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
N-ethenyl-N'-ethylethanimidamide
CID 87281065
2-[1-(Ethenylamino)ethylideneamino]ethyl-trimethylazanium
CID 88544387
N-ethenyl-N',2-dimethylpropanimidamide
CID 89040593
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N'-methylethanimidamide;propane?
The IUPAC name of ethane;N-ethenyl-N'-methylethanimidamide;propane (CID 176961852) is ethane;N-ethenyl-N'-methylethanimidamide;propane.
What is the SMILES notation for ethane;N-ethenyl-N'-methylethanimidamide;propane?
The canonical SMILES for ethane;N-ethenyl-N'-methylethanimidamide;propane is C=CN/C(C)=N/C.CC.CCC.
What is the InChIKey of ethane;N-ethenyl-N'-methylethanimidamide;propane?
The InChIKey is RWZIURIJXPBYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C3H8.C2H6/c1-4-7-5(2)6-3;1-3-2;1-2/h4H,1H2,2-3H3,(H,6,7);3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethenyl-N'-methylethanimidamide;propane?
ethane;N-ethenyl-N'-methylethanimidamide;propane has a molecular weight of 172.32 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N'-methylethanimidamide;propane is sourced from PubChem (CID 176961852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).