methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate

C15H24N2O2 — CID 79415880

IUPACmethyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate
SMILESCCC1CCC(NCc2ccc(C(=O)OC)[nH]2)CC1
InChIInChI=1S/C15H24N2O2/c1-3-11-4-6-12(7-5-11)16-10-13-8-9-14(17-13)15(18)19-2/h8-9,11-12,16-17H,3-7,10H2,1-2H3
InChIKeyVYBYKBLQYWJEJD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.86
Rot. Bonds5

About methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate

methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate (PubChem CID 79415880) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate
PubChem CID79415880
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate
SMILESCCC1CCC(NCc2ccc(C(=O)OC)[nH]2)CC1
InChIInChI=1S/C15H24N2O2/c1-3-11-4-6-12(7-5-11)16-10-13-8-9-14(17-13)15(18)19-2/h8-9,11-12,16-17H,3-7,10H2,1-2H3
InChIKeyVYBYKBLQYWJEJD-UHFFFAOYSA-N
XLogP2.86
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[(1,1-dioxothian-4-yl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 79415372
methyl 5-[[(3-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 114543965
methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 79416389
methyl 5-[[(3-hydroxycyclobutyl)methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79416139
methyl 5-[(oxan-4-ylmethylamino)methyl]-1H-pyrrole-2-carboxylate
CID 79415550
methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate
CID 79415276
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
CID 62742743
methyl 5-[(2-butoxyethylamino)methyl]-1H-pyrrole-2-carboxylate
CID 79415460
methyl 5-[[(3-methoxy-3-oxopropyl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 79415866
methyl 5-[(pyrrol-1-ylamino)methyl]-1H-pyrrole-2-carboxylate
CID 79415396

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate (CID 79415880) is methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate is CCC1CCC(NCc2ccc(C(=O)OC)[nH]2)CC1.
What is the InChIKey of methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate?
The InChIKey is VYBYKBLQYWJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-11-4-6-12(7-5-11)16-10-13-8-9-14(17-13)15(18)19-2/h8-9,11-12,16-17H,3-7,10H2,1-2H3.
What are the key properties of methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate?
methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4-ethylcyclohexyl)amino]methyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 79415880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).