3-[bis(hex-2-enyl)amino]prop-2-enoic acid

C15H25NO2 — CID 87504568

IUPAC3-[bis(hex-2-enyl)amino]prop-2-enoic acid
SMILESCCCC=CCN(C=CC(=O)O)CC=CCCC
InChIInChI=1S/C15H25NO2/c1-3-5-7-9-12-16(14-11-15(17)18)13-10-8-6-4-2/h7-11,14H,3-6,12-13H2,1-2H3,(H,17,18)
InChIKeyLUMGIKRZCHQCLZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.60
Rot. Bonds10

About 3-[bis(hex-2-enyl)amino]prop-2-enoic acid

3-[bis(hex-2-enyl)amino]prop-2-enoic acid (PubChem CID 87504568) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[bis(hex-2-enyl)amino]prop-2-enoic acid.

Molecular Properties

Compound Name3-[bis(hex-2-enyl)amino]prop-2-enoic acid
PubChem CID87504568
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[bis(hex-2-enyl)amino]prop-2-enoic acid
SMILESCCCC=CCN(C=CC(=O)O)CC=CCCC
InChIInChI=1S/C15H25NO2/c1-3-5-7-9-12-16(14-11-15(17)18)13-10-8-6-4-2/h7-11,14H,3-6,12-13H2,1-2H3,(H,17,18)
InChIKeyLUMGIKRZCHQCLZ-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(dipropylamino)prop-2-enoic acid
CID 79889518
(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
3-[butyl(methyl)amino]prop-2-enoic acid
CID 79889274
(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine
CID 87105385
acetic acid;(E)-hex-2-ene
CID 174958018
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
3-[bis(2-methylpropyl)amino]prop-2-enoic acid
CID 79896068
3-[methyl-[2-oxo-2-(propylamino)ethyl]amino]prop-2-enoic acid
CID 79897297
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
3-[ethyl(2,2,2-trifluoroethyl)amino]prop-2-enoic acid
CID 79896869

Frequently Asked Questions

What is the IUPAC name of 3-[bis(hex-2-enyl)amino]prop-2-enoic acid?
The IUPAC name of 3-[bis(hex-2-enyl)amino]prop-2-enoic acid (CID 87504568) is 3-[bis(hex-2-enyl)amino]prop-2-enoic acid.
What is the SMILES notation for 3-[bis(hex-2-enyl)amino]prop-2-enoic acid?
The canonical SMILES for 3-[bis(hex-2-enyl)amino]prop-2-enoic acid is CCCC=CCN(C=CC(=O)O)CC=CCCC.
What is the InChIKey of 3-[bis(hex-2-enyl)amino]prop-2-enoic acid?
The InChIKey is LUMGIKRZCHQCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-5-7-9-12-16(14-11-15(17)18)13-10-8-6-4-2/h7-11,14H,3-6,12-13H2,1-2H3,(H,17,18).
What are the key properties of 3-[bis(hex-2-enyl)amino]prop-2-enoic acid?
3-[bis(hex-2-enyl)amino]prop-2-enoic acid has a molecular weight of 251.37 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(hex-2-enyl)amino]prop-2-enoic acid is sourced from PubChem (CID 87504568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).