2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate

C14H23NO2 — CID 87095553

IUPAC2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate
SMILESC=CC/C=C\CCCN(C)CCOC(=O)C=C
InChIInChI=1S/C14H23NO2/c1-4-6-7-8-9-10-11-15(3)12-13-17-14(16)5-2/h4-5,7-8H,1-2,6,9-13H2,3H3/b8-7-
InChIKeyACUAWSMWNVBQRS-FPLPWBNLSA-N
MW237.34 g/mol
LogP2.56
Rot. Bonds10

About 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate

2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate (PubChem CID 87095553) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate
PubChem CID87095553
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate
SMILESC=CC/C=C\CCCN(C)CCOC(=O)C=C
InChIInChI=1S/C14H23NO2/c1-4-6-7-8-9-10-11-15(3)12-13-17-14(16)5-2/h4-5,7-8H,1-2,6,9-13H2,3H3/b8-7-
InChIKeyACUAWSMWNVBQRS-FPLPWBNLSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.56
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-octa-4,7-dienylethane-1,2-diamine
CID 87095781
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
[(Z)-dodec-7-enyl] prop-2-enoate
CID 171776211
bis[2-[2-hydroxyethyl(methyl)amino]ethyl] (E)-octadec-9-enedioate
CID 87663821
2-[methyl(2-octadeca-9,12-dienoyloxyethyl)amino]ethyl octadeca-9,12-dienoate
CID 123369708
4-(dimethylamino)but-3-enyl prop-2-enoate
CID 141108396
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
ethyl (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate
CID 171042765
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470
[(2E)-octa-2,7-dienyl] prop-2-enoate
CID 12861169

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate (CID 87095553) is 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate is C=CC/C=C\CCCN(C)CCOC(=O)C=C.
What is the InChIKey of 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate?
The InChIKey is ACUAWSMWNVBQRS-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-7-8-9-10-11-15(3)12-13-17-14(16)5-2/h4-5,7-8H,1-2,6,9-13H2,3H3/b8-7-.
What are the key properties of 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate?
2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate has a molecular weight of 237.34 g/mol, XLogP of 2.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 87095553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).