ethanamine;methyl 2-methylbut-2-enoate

C8H17NO2 — CID 175288046

IUPACethanamine;methyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC.CCN
InChIInChI=1S/C6H10O2.C2H7N/c1-4-5(2)6(7)8-3;1-2-3/h4H,1-3H3;2-3H2,1H3
InChIKeyABQKLAHRDYDIQH-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.09
Rot. Bonds1

About ethanamine;methyl 2-methylbut-2-enoate

ethanamine;methyl 2-methylbut-2-enoate (PubChem CID 175288046) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethanamine;methyl 2-methylbut-2-enoate.

Molecular Properties

Compound Nameethanamine;methyl 2-methylbut-2-enoate
PubChem CID175288046
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethanamine;methyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC.CCN
InChIInChI=1S/C6H10O2.C2H7N/c1-4-5(2)6(7)8-3;1-2-3/h4H,1-3H3;2-3H2,1H3
InChIKeyABQKLAHRDYDIQH-UHFFFAOYSA-N
XLogP1.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-methylpent-2-enoate
CID 57069789
methyl 2-methylbut-2-enoate;N,N,2-trimethylbut-2-enamide
CID 91392043
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
methyl (E)-2-methylhex-2-enoate
CID 5364816
1-O-methyl 4-O-propyl 2-methylbut-2-enedioate
CID 175490226
2-methylbut-2-enoic acid;methyl 2-methylidenebutanoate
CID 87762003
methyl 7-amino-2-methylhept-2-enoate
CID 86161223
methyl (Z)-4-amino-2-methyl-4-oxobut-2-enoate
CID 88519783
methyl 3-chloro-2-methylprop-2-enoate
CID 54075272
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
methyl (Z)-3-fluoro-2-methylprop-2-enoate
CID 12587009

Frequently Asked Questions

What is the IUPAC name of ethanamine;methyl 2-methylbut-2-enoate?
The IUPAC name of ethanamine;methyl 2-methylbut-2-enoate (CID 175288046) is ethanamine;methyl 2-methylbut-2-enoate.
What is the SMILES notation for ethanamine;methyl 2-methylbut-2-enoate?
The canonical SMILES for ethanamine;methyl 2-methylbut-2-enoate is CC=C(C)C(=O)OC.CCN.
What is the InChIKey of ethanamine;methyl 2-methylbut-2-enoate?
The InChIKey is ABQKLAHRDYDIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H7N/c1-4-5(2)6(7)8-3;1-2-3/h4H,1-3H3;2-3H2,1H3.
What are the key properties of ethanamine;methyl 2-methylbut-2-enoate?
ethanamine;methyl 2-methylbut-2-enoate has a molecular weight of 159.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;methyl 2-methylbut-2-enoate is sourced from PubChem (CID 175288046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).