6-(dipropylamino)decyl 2-methylprop-2-enoate

C20H39NO2 — CID 102118110

IUPAC6-(dipropylamino)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(CCCC)N(CCC)CCC
InChIInChI=1S/C20H39NO2/c1-6-9-13-19(21(15-7-2)16-8-3)14-11-10-12-17-23-20(22)18(4)5/h19H,4,6-17H2,1-3,5H3
InChIKeyWFVSSVCJWXQKNI-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.35
Rot. Bonds15

About 6-(dipropylamino)decyl 2-methylprop-2-enoate

6-(dipropylamino)decyl 2-methylprop-2-enoate (PubChem CID 102118110) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 6-(dipropylamino)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(dipropylamino)decyl 2-methylprop-2-enoate
PubChem CID102118110
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name6-(dipropylamino)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(CCCC)N(CCC)CCC
InChIInChI=1S/C20H39NO2/c1-6-9-13-19(21(15-7-2)16-8-3)14-11-10-12-17-23-20(22)18(4)5/h19H,4,6-17H2,1-3,5H3
InChIKeyWFVSSVCJWXQKNI-UHFFFAOYSA-N
XLogP5.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.35
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-(dipropylamino)nonyl 2-methylprop-2-enoate
CID 102118100
8-(dipropylamino)nonyl 2-methylprop-2-enoate
CID 102118104
7-(diethylamino)decyl 2-methylprop-2-enoate
CID 102118085
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)decyl 2-methylprop-2-enoate?
The IUPAC name of 6-(dipropylamino)decyl 2-methylprop-2-enoate (CID 102118110) is 6-(dipropylamino)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(dipropylamino)decyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(dipropylamino)decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC(CCCC)N(CCC)CCC.
What is the InChIKey of 6-(dipropylamino)decyl 2-methylprop-2-enoate?
The InChIKey is WFVSSVCJWXQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-6-9-13-19(21(15-7-2)16-8-3)14-11-10-12-17-23-20(22)18(4)5/h19H,4,6-17H2,1-3,5H3.
What are the key properties of 6-(dipropylamino)decyl 2-methylprop-2-enoate?
6-(dipropylamino)decyl 2-methylprop-2-enoate has a molecular weight of 325.54 g/mol, XLogP of 5.35, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 102118110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).