N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)

C14H29N3O6 — CID 90688519

IUPACN-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)
SMILESCNC.CNC(=O)CCC(=O)OC.CNC(=O)CCC(=O)OC
InChIInChI=1S/2C6H11NO3.C2H7N/c2*1-7-5(8)3-4-6(9)10-2;1-3-2/h2*3-4H2,1-2H3,(H,7,8);3H,1-2H3
InChIKeyBAYVCALJAZMIMA-UHFFFAOYSA-N
MW335.40 g/mol
LogP-0.79
Rot. Bonds6

About N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)

N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate) (PubChem CID 90688519) has the molecular formula C14H29N3O6 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate).

Molecular Properties

Compound NameN-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)
PubChem CID90688519
Molecular FormulaC14H29N3O6
Molecular Weight335.40 g/mol
Exact Mass335.21
IUPAC NameN-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)
SMILESCNC.CNC(=O)CCC(=O)OC.CNC(=O)CCC(=O)OC
InChIInChI=1S/2C6H11NO3.C2H7N/c2*1-7-5(8)3-4-6(9)10-2;1-3-2/h2*3-4H2,1-2H3,(H,7,8);3H,1-2H3
InChIKeyBAYVCALJAZMIMA-UHFFFAOYSA-N
XLogP-0.79
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
amino 4-(methylamino)-4-oxobutanoate
CID 89307861
2-methoxyethyl 4-(methylamino)-4-oxobutanoate
CID 159443764
methyl 4-(iodoamino)-4-oxobutanoate
CID 131969933
methyl 4-oxo-4-(3-oxobutan-2-ylamino)butanoate
CID 167666613
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 10798751
ethane;3-methoxy-N-methylpropanamide
CID 178014406
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
methane;methyl 4-oxopentanoate
CID 157451764
4-methoxy-4-oxobutanoate
CID 6930703
methyl 4-oxopentanoate;propan-2-one
CID 102601184

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)?
The IUPAC name of N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate) (CID 90688519) is N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate).
What is the SMILES notation for N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)?
The canonical SMILES for N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate) is CNC.CNC(=O)CCC(=O)OC.CNC(=O)CCC(=O)OC.
What is the InChIKey of N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)?
The InChIKey is BAYVCALJAZMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO3.C2H7N/c2*1-7-5(8)3-4-6(9)10-2;1-3-2/h2*3-4H2,1-2H3,(H,7,8);3H,1-2H3.
What are the key properties of N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)?
N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate) has a molecular weight of 335.40 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate) is sourced from PubChem (CID 90688519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).