methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate

C14H27NO2 — CID 66099022

IUPACmethyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate
SMILESCCC1CCC(CC(=O)OC)(C(C)(C)N)CC1
InChIInChI=1S/C14H27NO2/c1-5-11-6-8-14(9-7-11,13(2,3)15)10-12(16)17-4/h11H,5-10,15H2,1-4H3
InChIKeyACVPIIINDUYJTD-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds4

About methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate

methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate (PubChem CID 66099022) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate
PubChem CID66099022
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate
SMILESCCC1CCC(CC(=O)OC)(C(C)(C)N)CC1
InChIInChI=1S/C14H27NO2/c1-5-11-6-8-14(9-7-11,13(2,3)15)10-12(16)17-4/h11H,5-10,15H2,1-4H3
InChIKeyACVPIIINDUYJTD-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate
CID 66098610
methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
CID 66098608
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
CID 103020316
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid
CID 66092116
methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate
CID 79863323
2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
CID 116560204
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate?
The IUPAC name of methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate (CID 66099022) is methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate is CCC1CCC(CC(=O)OC)(C(C)(C)N)CC1.
What is the InChIKey of methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate?
The InChIKey is ACVPIIINDUYJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-11-6-8-14(9-7-11,13(2,3)15)10-12(16)17-4/h11H,5-10,15H2,1-4H3.
What are the key properties of methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate?
methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate is sourced from PubChem (CID 66099022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).