(dihexylamino)methyl prop-2-enoate

C16H31NO2 — CID 22389684

IUPAC(dihexylamino)methyl prop-2-enoate
SMILESC=CC(=O)OCN(CCCCCC)CCCCCC
InChIInChI=1S/C16H31NO2/c1-4-7-9-11-13-17(14-12-10-8-5-2)15-19-16(18)6-3/h6H,3-5,7-15H2,1-2H3
InChIKeyQSHAIZPIMBKECI-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.14
Rot. Bonds13

About (dihexylamino)methyl prop-2-enoate

(dihexylamino)methyl prop-2-enoate (PubChem CID 22389684) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (dihexylamino)methyl prop-2-enoate.

Molecular Properties

Compound Name(dihexylamino)methyl prop-2-enoate
PubChem CID22389684
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(dihexylamino)methyl prop-2-enoate
SMILESC=CC(=O)OCN(CCCCCC)CCCCCC
InChIInChI=1S/C16H31NO2/c1-4-7-9-11-13-17(14-12-10-8-5-2)15-19-16(18)6-3/h6H,3-5,7-15H2,1-2H3
InChIKeyQSHAIZPIMBKECI-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
CID 58984040
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
[methyl(propyl)amino]methyl prop-2-enoate
CID 91333116

Frequently Asked Questions

What is the IUPAC name of (dihexylamino)methyl prop-2-enoate?
The IUPAC name of (dihexylamino)methyl prop-2-enoate (CID 22389684) is (dihexylamino)methyl prop-2-enoate.
What is the SMILES notation for (dihexylamino)methyl prop-2-enoate?
The canonical SMILES for (dihexylamino)methyl prop-2-enoate is C=CC(=O)OCN(CCCCCC)CCCCCC.
What is the InChIKey of (dihexylamino)methyl prop-2-enoate?
The InChIKey is QSHAIZPIMBKECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-7-9-11-13-17(14-12-10-8-5-2)15-19-16(18)6-3/h6H,3-5,7-15H2,1-2H3.
What are the key properties of (dihexylamino)methyl prop-2-enoate?
(dihexylamino)methyl prop-2-enoate has a molecular weight of 269.43 g/mol, XLogP of 4.14, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dihexylamino)methyl prop-2-enoate is sourced from PubChem (CID 22389684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).