N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate

C15H34N2O4 — CID 172985845

IUPACN,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate
SMILESC=C(C)OC.CC/C(C)=N/OC.CN(C)C.COC(C)=O
InChIInChI=1S/C5H11NO.C4H8O.C3H9N.C3H6O2/c1-4-5(2)6-7-3;1-4(2)5-3;1-4(2)3;1-3(4)5-2/h4H2,1-3H3;1H2,2-3H3;1-3H3;1-2H3/b6-5+;;;
InChIKeyKCBXPGWVAFZDSK-FWMLTEASSA-N
MW306.45 g/mol
LogP2.94
Rot. Bonds3

About N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate

N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate (PubChem CID 172985845) has the molecular formula C15H34N2O4 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate
PubChem CID172985845
Molecular FormulaC15H34N2O4
Molecular Weight306.45 g/mol
Exact Mass306.25
IUPAC NameN,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate
SMILESC=C(C)OC.CC/C(C)=N/OC.CN(C)C.COC(C)=O
InChIInChI=1S/C5H11NO.C4H8O.C3H9N.C3H6O2/c1-4-5(2)6-7-3;1-4(2)5-3;1-4(2)3;1-3(4)5-2/h4H2,1-3H3;1H2,2-3H3;1-3H3;1-2H3/b6-5+;;;
InChIKeyKCBXPGWVAFZDSK-FWMLTEASSA-N
XLogP2.94
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
The IUPAC name of N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate (CID 172985845) is N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate.
What is the SMILES notation for N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
The canonical SMILES for N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate is C=C(C)OC.CC/C(C)=N/OC.CN(C)C.COC(C)=O.
What is the InChIKey of N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
The InChIKey is KCBXPGWVAFZDSK-FWMLTEASSA-N. The full InChI is InChI=1S/C5H11NO.C4H8O.C3H9N.C3H6O2/c1-4-5(2)6-7-3;1-4(2)5-3;1-4(2)3;1-3(4)5-2/h4H2,1-3H3;1H2,2-3H3;1-3H3;1-2H3/b6-5+;;;.
What are the key properties of N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate has a molecular weight of 306.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate is sourced from PubChem (CID 172985845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).