ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate

C16H34N2O4 — CID 158815011

IUPACethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate
SMILESC.CC.COC(=O)C(C)N=C(C)C.COC(=O)CN=C(C)C
InChIInChI=1S/C7H13NO2.C6H11NO2.C2H6.CH4/c1-5(2)8-6(3)7(9)10-4;1-5(2)7-4-6(8)9-3;1-2;/h6H,1-4H3;4H2,1-3H3;1-2H3;1H4
InChIKeyIVDRVVRTDZAKSS-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.33
Rot. Bonds4

About ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate

ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate (PubChem CID 158815011) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate.

Molecular Properties

Compound Nameethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate
PubChem CID158815011
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC Nameethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate
SMILESC.CC.COC(=O)C(C)N=C(C)C.COC(=O)CN=C(C)C
InChIInChI=1S/C7H13NO2.C6H11NO2.C2H6.CH4/c1-5(2)8-6(3)7(9)10-4;1-5(2)7-4-6(8)9-3;1-2;/h6H,1-4H3;4H2,1-3H3;1-2H3;1H4
InChIKeyIVDRVVRTDZAKSS-UHFFFAOYSA-N
XLogP3.33
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate?
The IUPAC name of ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate (CID 158815011) is ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate.
What is the SMILES notation for ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate?
The canonical SMILES for ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate is C.CC.COC(=O)C(C)N=C(C)C.COC(=O)CN=C(C)C.
What is the InChIKey of ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate?
The InChIKey is IVDRVVRTDZAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C6H11NO2.C2H6.CH4/c1-5(2)8-6(3)7(9)10-4;1-5(2)7-4-6(8)9-3;1-2;/h6H,1-4H3;4H2,1-3H3;1-2H3;1H4.
What are the key properties of ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate?
ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate has a molecular weight of 318.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate is sourced from PubChem (CID 158815011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).