ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate

C15H29NO2 — CID 54866931

IUPACethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(CC)C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-5-14(11(3)4)16-13-9-7-12(8-10-13)15(17)18-6-2/h11-14,16H,5-10H2,1-4H3
InChIKeyOQCOXUQMGYQRFA-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate

ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate (PubChem CID 54866931) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate
PubChem CID54866931
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(CC)C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-5-14(11(3)4)16-13-9-7-12(8-10-13)15(17)18-6-2/h11-14,16H,5-10H2,1-4H3
InChIKeyOQCOXUQMGYQRFA-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-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

ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
CID 54866990
ethyl 4-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate
CID 115906978
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 3-(pentan-3-ylamino)cyclopentane-1-carboxylate
CID 104628488
ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297446
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
ethyl 4-[1-(2-hydroxyphenyl)ethylamino]cyclohexane-1-carboxylate
CID 60932980
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate (CID 54866931) is ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(CC)C(C)C)CC1.
What is the InChIKey of ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate?
The InChIKey is OQCOXUQMGYQRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-14(11(3)4)16-13-9-7-12(8-10-13)15(17)18-6-2/h11-14,16H,5-10H2,1-4H3.
What are the key properties of ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate?
ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 54866931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).