ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate

C16H31NO2 — CID 54866990

IUPACethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(C)CCC(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-5-19-16(18)14-8-10-15(11-9-14)17-13(4)7-6-12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyUYYITARXGPSJLZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.52
Rot. Bonds7

About ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate

ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate (PubChem CID 54866990) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
PubChem CID54866990
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nameethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(C)CCC(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-5-19-16(18)14-8-10-15(11-9-14)17-13(4)7-6-12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyUYYITARXGPSJLZ-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(5-methylhexan-2-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-(1-ethoxypropan-2-ylamino)cyclohexane-1-carboxylate
CID 115906978
ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate
CID 54866931
1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 90346860
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
1-O-ethyl 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 66984352
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
ethyl 4-[1-(2-hydroxyphenyl)ethylamino]cyclohexane-1-carboxylate
CID 60932980
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3-(pentan-3-ylamino)cyclopentane-1-carboxylate
CID 104628488

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate (CID 54866990) is ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(C)CCC(C)C)CC1.
What is the InChIKey of ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate?
The InChIKey is UYYITARXGPSJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-19-16(18)14-8-10-15(11-9-14)17-13(4)7-6-12(2)3/h12-15,17H,5-11H2,1-4H3.
What are the key properties of ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate?
ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 54866990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).