2-(propylamino)ethyl 2-methylprop-2-enoate

C9H17NO2 — CID 18325626

IUPAC2-(propylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCC
InChIInChI=1S/C9H17NO2/c1-4-5-10-6-7-12-9(11)8(2)3/h10H,2,4-7H2,1,3H3
InChIKeyLGQNUEMUALHDFN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds6

About 2-(propylamino)ethyl 2-methylprop-2-enoate

2-(propylamino)ethyl 2-methylprop-2-enoate (PubChem CID 18325626) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(propylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(propylamino)ethyl 2-methylprop-2-enoate
PubChem CID18325626
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(propylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCC
InChIInChI=1S/C9H17NO2/c1-4-5-10-6-7-12-9(11)8(2)3/h10H,2,4-7H2,1,3H3
InChIKeyLGQNUEMUALHDFN-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate
CID 175509249
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
N-butylbutan-1-amine;ethyl 2-methylprop-2-enoate
CID 158486593
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl 2-methylprop-2-enoate
CID 163863615
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;methane
CID 159646333
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(propylamino)ethyl 2-methylprop-2-enoate (CID 18325626) is 2-(propylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(propylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(propylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCC.
What is the InChIKey of 2-(propylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is LGQNUEMUALHDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-10-6-7-12-9(11)8(2)3/h10H,2,4-7H2,1,3H3.
What are the key properties of 2-(propylamino)ethyl 2-methylprop-2-enoate?
2-(propylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18325626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).