2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate

C17H33NO2 — CID 54081174

IUPAC2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C17H33NO2/c1-6-17(19)20-14-13-18(11-7-9-15(2)3)12-8-10-16(4)5/h6,15-16H,1,7-14H2,2-5H3
InChIKeyMNFKONBPQJENCJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.89
Rot. Bonds12

About 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate

2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate (PubChem CID 54081174) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
PubChem CID54081174
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C17H33NO2/c1-6-17(19)20-14-13-18(11-7-9-15(2)3)12-8-10-16(4)5/h6,15-16H,1,7-14H2,2-5H3
InChIKeyMNFKONBPQJENCJ-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
(Z)-but-2-enedioic acid;6-methylheptyl prop-2-enoate
CID 174829872
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
isocyanic acid;6-methylheptyl prop-2-enoate
CID 175511930
2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
CID 140686718
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
dodecanoic acid;6-methylheptyl prop-2-enoate
CID 174662235

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate (CID 54081174) is 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate is C=CC(=O)OCCN(CCCC(C)C)CCCC(C)C.
What is the InChIKey of 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate?
The InChIKey is MNFKONBPQJENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-17(19)20-14-13-18(11-7-9-15(2)3)12-8-10-16(4)5/h6,15-16H,1,7-14H2,2-5H3.
What are the key properties of 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate?
2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate has a molecular weight of 283.46 g/mol, XLogP of 3.89, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 54081174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).