1-(dimethylamino)propyl 2-methylprop-2-enoate

C9H17NO2 — CID 18401957

IUPAC1-(dimethylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)N(C)C
InChIInChI=1S/C9H17NO2/c1-6-8(10(4)5)12-9(11)7(2)3/h8H,2,6H2,1,3-5H3
InChIKeyGKLZINBQHNLQNV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.40
Rot. Bonds4

About 1-(dimethylamino)propyl 2-methylprop-2-enoate

1-(dimethylamino)propyl 2-methylprop-2-enoate (PubChem CID 18401957) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(dimethylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(dimethylamino)propyl 2-methylprop-2-enoate
PubChem CID18401957
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(dimethylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)N(C)C
InChIInChI=1S/C9H17NO2/c1-6-8(10(4)5)12-9(11)7(2)3/h8H,2,6H2,1,3-5H3
InChIKeyGKLZINBQHNLQNV-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)propyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 1-(dimethylamino)propyl 2-methylprop-2-enoate (CID 18401957) is 1-(dimethylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(dimethylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(dimethylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)N(C)C.
What is the InChIKey of 1-(dimethylamino)propyl 2-methylprop-2-enoate?
The InChIKey is GKLZINBQHNLQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-8(10(4)5)12-9(11)7(2)3/h8H,2,6H2,1,3-5H3.
What are the key properties of 1-(dimethylamino)propyl 2-methylprop-2-enoate?
1-(dimethylamino)propyl 2-methylprop-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18401957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).