3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate

C19H37NO2 — CID 90955762

IUPAC3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate
SMILESC=C(C)C(C)(C)C(C)(CC(C)(C)C)C(=O)OCCCN(C)C
InChIInChI=1S/C19H37NO2/c1-15(2)18(6,7)19(8,14-17(3,4)5)16(21)22-13-11-12-20(9)10/h1,11-14H2,2-10H3
InChIKeyOQFILPXKAYMGGZ-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.53
Rot. Bonds8

About 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate

3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate (PubChem CID 90955762) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate
PubChem CID90955762
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate
SMILESC=C(C)C(C)(C)C(C)(CC(C)(C)C)C(=O)OCCCN(C)C
InChIInChI=1S/C19H37NO2/c1-15(2)18(6,7)19(8,14-17(3,4)5)16(21)22-13-11-12-20(9)10/h1,11-14H2,2-10H3
InChIKeyOQFILPXKAYMGGZ-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate?
The IUPAC name of 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate (CID 90955762) is 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate.
What is the SMILES notation for 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate?
The canonical SMILES for 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate is C=C(C)C(C)(C)C(C)(CC(C)(C)C)C(=O)OCCCN(C)C.
What is the InChIKey of 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate?
The InChIKey is OQFILPXKAYMGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-15(2)18(6,7)19(8,14-17(3,4)5)16(21)22-13-11-12-20(9)10/h1,11-14H2,2-10H3.
What are the key properties of 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate?
3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate has a molecular weight of 311.51 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-(2,2-dimethylpropyl)-2,3,3,4-tetramethylpent-4-enoate is sourced from PubChem (CID 90955762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).