1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate

C10H20N2O2 — CID 174969085

IUPAC1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate
SMILESC=C(C(=O)OC(C)NC)C(C)N(C)C
InChIInChI=1S/C10H20N2O2/c1-7(8(2)12(5)6)10(13)14-9(3)11-4/h8-9,11H,1H2,2-6H3
InChIKeyPWLDMTMTNPJVAW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.60
Rot. Bonds5

About 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate

1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate (PubChem CID 174969085) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate.

Molecular Properties

Compound Name1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate
PubChem CID174969085
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate
SMILESC=C(C(=O)OC(C)NC)C(C)N(C)C
InChIInChI=1S/C10H20N2O2/c1-7(8(2)12(5)6)10(13)14-9(3)11-4/h8-9,11H,1H2,2-6H3
InChIKeyPWLDMTMTNPJVAW-UHFFFAOYSA-N
XLogP0.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(dimethylamino)but-1-en-2-ol
CID 90069632
benzyl 3-(dimethylamino)-2-methylidenebutanoate chloride
CID 22178508
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
1-(ethenylamino)ethyl 2-methylprop-2-enoate
CID 87899404
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
CID 174787599
methyl 3-methyl-2-methylidenebutanoate
CID 534902
1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 140721028
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
3-N,3-N-dimethylbut-1-ene-2,3-diamine
CID 89045153
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate?
The IUPAC name of 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate (CID 174969085) is 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate.
What is the SMILES notation for 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate?
The canonical SMILES for 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate is C=C(C(=O)OC(C)NC)C(C)N(C)C.
What is the InChIKey of 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate?
The InChIKey is PWLDMTMTNPJVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(8(2)12(5)6)10(13)14-9(3)11-4/h8-9,11H,1H2,2-6H3.
What are the key properties of 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate?
1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate has a molecular weight of 200.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethyl 3-(dimethylamino)-2-methylidenebutanoate is sourced from PubChem (CID 174969085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).