ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate

C15H27NO3 — CID 103253445

IUPACethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
SMILESC=C(CNCC1(O)CCC(CC)CC1)C(=O)OCC
InChIInChI=1S/C15H27NO3/c1-4-13-6-8-15(18,9-7-13)11-16-10-12(3)14(17)19-5-2/h13,16,18H,3-11H2,1-2H3
InChIKeyZXIGVBSUPUBWBQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.03
Rot. Bonds7

About ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate

ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate (PubChem CID 103253445) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
PubChem CID103253445
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
SMILESC=C(CNCC1(O)CCC(CC)CC1)C(=O)OCC
InChIInChI=1S/C15H27NO3/c1-4-13-6-8-15(18,9-7-13)11-16-10-12(3)14(17)19-5-2/h13,16,18H,3-11H2,1-2H3
InChIKeyZXIGVBSUPUBWBQ-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoic acid
CID 103253435
ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate
CID 103269315
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
CID 103265214
2-amino-3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]propanoic acid
CID 103253424
ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
CID 103254926
1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 81094795
ethyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499098
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
ethyl 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]prop-2-enoate
CID 103254729
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate (CID 103253445) is ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate is C=C(CNCC1(O)CCC(CC)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate?
The InChIKey is ZXIGVBSUPUBWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-13-6-8-15(18,9-7-13)11-16-10-12(3)14(17)19-5-2/h13,16,18H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate?
ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate has a molecular weight of 269.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103253445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).