4-(dimethylamino)pentyl prop-2-enoate

C10H19NO2 — CID 159489055

IUPAC4-(dimethylamino)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCC(C)N(C)C
InChIInChI=1S/C10H19NO2/c1-5-10(12)13-8-6-7-9(2)11(3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyFBVPZWACMNWHTF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds6

About 4-(dimethylamino)pentyl prop-2-enoate

4-(dimethylamino)pentyl prop-2-enoate (PubChem CID 159489055) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(dimethylamino)pentyl prop-2-enoate.

Molecular Properties

Compound Name4-(dimethylamino)pentyl prop-2-enoate
PubChem CID159489055
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(dimethylamino)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCC(C)N(C)C
InChIInChI=1S/C10H19NO2/c1-5-10(12)13-8-6-7-9(2)11(3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyFBVPZWACMNWHTF-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
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

4-methylhexyl prop-2-enoate
CID 58980362
4-aminohexyl prop-2-enoate
CID 91140688
2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
4-hydroxyoctyl prop-2-enoate
CID 142754995
4-sulfanylhexyl prop-2-enoate
CID 141236879
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
bis[3-(dimethylamino)butyl] (E)-but-2-enedioate;hydrochloride
CID 175016414
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
[7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate
CID 173328991
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
6-methyltetradecyl prop-2-enoate
CID 87169125
7-methyltridecyl prop-2-enoate
CID 139834261

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)pentyl prop-2-enoate?
The IUPAC name of 4-(dimethylamino)pentyl prop-2-enoate (CID 159489055) is 4-(dimethylamino)pentyl prop-2-enoate.
What is the SMILES notation for 4-(dimethylamino)pentyl prop-2-enoate?
The canonical SMILES for 4-(dimethylamino)pentyl prop-2-enoate is C=CC(=O)OCCCC(C)N(C)C.
What is the InChIKey of 4-(dimethylamino)pentyl prop-2-enoate?
The InChIKey is FBVPZWACMNWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-10(12)13-8-6-7-9(2)11(3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 4-(dimethylamino)pentyl prop-2-enoate?
4-(dimethylamino)pentyl prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)pentyl prop-2-enoate is sourced from PubChem (CID 159489055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).