N-ethylethanamine;propyl 2-methylprop-2-enoate

C11H23NO2 — CID 18175785

IUPACN-ethylethanamine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCNCC
InChIInChI=1S/C7H12O2.C4H11N/c1-4-5-9-7(8)6(2)3;1-3-5-4-2/h2,4-5H2,1,3H3;5H,3-4H2,1-2H3
InChIKeyHAAYQMAWOUHMID-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.13
Rot. Bonds5

About N-ethylethanamine;propyl 2-methylprop-2-enoate

N-ethylethanamine;propyl 2-methylprop-2-enoate (PubChem CID 18175785) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-ethylethanamine;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound NameN-ethylethanamine;propyl 2-methylprop-2-enoate
PubChem CID18175785
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-ethylethanamine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCNCC
InChIInChI=1S/C7H12O2.C4H11N/c1-4-5-9-7(8)6(2)3;1-3-5-4-2/h2,4-5H2,1,3H3;5H,3-4H2,1-2H3
InChIKeyHAAYQMAWOUHMID-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.13
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

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CID 19601
2-(Butylamino)ethyl 2-methylprop-2-enoate
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2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 17873151
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium acetate
CID 73555277
2-Propenoic acid, 2-methyl-, 2-((1,1-dimethylethyl)amino)ethyl ester, hydrochloride (1:1)
CID 90020
2-Propenoic acid, 2-methyl-, 2-[(2-hydroxyethyl)amino]ethyl ester
CID 103933
2-(N,N,N-diethylmethylamino)ethyl methacrylate
CID 3016437
2-Propenoic acid, 2-methyl-, 2-(methylamino)ethyl ester
CID 10154110
3-Acetamidopropyl methacrylate
CID 15055173
2-Methacryloyloxyethyl-dimethylammonium bromide
CID 15277944
2-(Isopropylamino)ethyl methacrylate
CID 18325548
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;propyl 2-methylprop-2-enoate?
The IUPAC name of N-ethylethanamine;propyl 2-methylprop-2-enoate (CID 18175785) is N-ethylethanamine;propyl 2-methylprop-2-enoate.
What is the SMILES notation for N-ethylethanamine;propyl 2-methylprop-2-enoate?
The canonical SMILES for N-ethylethanamine;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.CCNCC.
What is the InChIKey of N-ethylethanamine;propyl 2-methylprop-2-enoate?
The InChIKey is HAAYQMAWOUHMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H11N/c1-4-5-9-7(8)6(2)3;1-3-5-4-2/h2,4-5H2,1,3H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;propyl 2-methylprop-2-enoate?
N-ethylethanamine;propyl 2-methylprop-2-enoate has a molecular weight of 201.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18175785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).