(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate

C18H33NO2 — CID 102629636

IUPAC(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
SMILESCCC1CCCCC1OC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C18H33NO2/c1-5-13-8-6-7-9-16(13)21-17(20)14-10-11-15(19)12(2)18(14,3)4/h12-16H,5-11,19H2,1-4H3
InChIKeySWZHTUZIIDZMON-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.90
Rot. Bonds3

About (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate

(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate (PubChem CID 102629636) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
PubChem CID102629636
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
SMILESCCC1CCCCC1OC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C18H33NO2/c1-5-13-8-6-7-9-16(13)21-17(20)14-10-11-15(19)12(2)18(14,3)4/h12-16H,5-11,19H2,1-4H3
InChIKeySWZHTUZIIDZMON-UHFFFAOYSA-N
XLogP3.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-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

cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629669
2-butoxyethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629642
(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
CID 66263376
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
CID 107071125
(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
CID 61277440
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 113311275
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate (CID 102629636) is (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate is CCC1CCCCC1OC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
The InChIKey is SWZHTUZIIDZMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-13-8-6-7-9-16(13)21-17(20)14-10-11-15(19)12(2)18(14,3)4/h12-16H,5-11,19H2,1-4H3.
What are the key properties of (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 102629636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).