2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid

C20H41NO3 — CID 175185966

IUPAC2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCCCC(C)(O)NCC
InChIInChI=1S/C16H35NO.C4H6O2/c1-4-6-7-8-9-10-11-12-13-14-15-16(3,18)17-5-2;1-3(2)4(5)6/h17-18H,4-15H2,1-3H3;1H2,2H3,(H,5,6)
InChIKeyFJWKZMDLZMVSJM-UHFFFAOYSA-N
MW343.55 g/mol
LogP5.26
Rot. Bonds14

About 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid

2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid (PubChem CID 175185966) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid
PubChem CID175185966
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCCCC(C)(O)NCC
InChIInChI=1S/C16H35NO.C4H6O2/c1-4-6-7-8-9-10-11-12-13-14-15-16(3,18)17-5-2;1-3(2)4(5)6/h17-18H,4-15H2,1-3H3;1H2,2H3,(H,5,6)
InChIKeyFJWKZMDLZMVSJM-UHFFFAOYSA-N
XLogP5.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.55
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;octacosane
CID 158715869
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
2-methylprop-2-enoic acid;octan-1-ol
CID 174681035
decan-1-ol;2-methylprop-2-enoic acid
CID 174640538
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
2-(2-methyltridecan-2-ylamino)ethyl 2-methylprop-2-enoate
CID 89314536
bis(2-methylprop-2-enoic acid);octadecanoic acid
CID 158142105
2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
CID 89314479
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
4-hydroxy-4-methyltetradecan-2-one
CID 174972394

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid?
The IUPAC name of 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid (CID 175185966) is 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCCCCCCCCCCCC(C)(O)NCC.
What is the InChIKey of 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid?
The InChIKey is FJWKZMDLZMVSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO.C4H6O2/c1-4-6-7-8-9-10-11-12-13-14-15-16(3,18)17-5-2;1-3(2)4(5)6/h17-18H,4-15H2,1-3H3;1H2,2H3,(H,5,6).
What are the key properties of 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid?
2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid has a molecular weight of 343.55 g/mol, XLogP of 5.26, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)tetradecan-2-ol;2-methylprop-2-enoic acid is sourced from PubChem (CID 175185966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).