ethyl 7-[bis(prop-2-enyl)amino]heptanoate

C15H27NO2 — CID 15467062

IUPACethyl 7-[bis(prop-2-enyl)amino]heptanoate
SMILESC=CCN(CC=C)CCCCCCC(=O)OCC
InChIInChI=1S/C15H27NO2/c1-4-12-16(13-5-2)14-10-8-7-9-11-15(17)18-6-3/h4-5H,1-2,6-14H2,3H3
InChIKeyMRMVWVSZXXIROE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds12

About ethyl 7-[bis(prop-2-enyl)amino]heptanoate

ethyl 7-[bis(prop-2-enyl)amino]heptanoate (PubChem CID 15467062) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 7-[bis(prop-2-enyl)amino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[bis(prop-2-enyl)amino]heptanoate
PubChem CID15467062
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 7-[bis(prop-2-enyl)amino]heptanoate
SMILESC=CCN(CC=C)CCCCCCC(=O)OCC
InChIInChI=1S/C15H27NO2/c1-4-12-16(13-5-2)14-10-8-7-9-11-15(17)18-6-3/h4-5H,1-2,6-14H2,3H3
InChIKeyMRMVWVSZXXIROE-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
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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Related Compounds

ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
diethyl icosanedioate
CID 5058538
ethyl hept-6-enoate
CID 560341
ethyl 7-(dimethylamino)heptanoate
CID 170069476
ethyl 8-[3-[amino-[(Z)-prop-1-enyl]amino]propyl-non-8-enylamino]octanoate
CID 145405482
diethyl hexanedioate
CID 160747628
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[bis(prop-2-enyl)amino]heptanoate?
The IUPAC name of ethyl 7-[bis(prop-2-enyl)amino]heptanoate (CID 15467062) is ethyl 7-[bis(prop-2-enyl)amino]heptanoate.
What is the SMILES notation for ethyl 7-[bis(prop-2-enyl)amino]heptanoate?
The canonical SMILES for ethyl 7-[bis(prop-2-enyl)amino]heptanoate is C=CCN(CC=C)CCCCCCC(=O)OCC.
What is the InChIKey of ethyl 7-[bis(prop-2-enyl)amino]heptanoate?
The InChIKey is MRMVWVSZXXIROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-12-16(13-5-2)14-10-8-7-9-11-15(17)18-6-3/h4-5H,1-2,6-14H2,3H3.
What are the key properties of ethyl 7-[bis(prop-2-enyl)amino]heptanoate?
ethyl 7-[bis(prop-2-enyl)amino]heptanoate has a molecular weight of 253.39 g/mol, XLogP of 3.17, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[bis(prop-2-enyl)amino]heptanoate is sourced from PubChem (CID 15467062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).