methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate

C11H21NO3 — CID 106874714

IUPACmethyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate
SMILESCOC(=O)CC1(CN)CCCCC1OC
InChIInChI=1S/C11H21NO3/c1-14-9-5-3-4-6-11(9,8-12)7-10(13)15-2/h9H,3-8,12H2,1-2H3
InChIKeyJFZUKHCYOFPPFZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds4

About methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate

methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate (PubChem CID 106874714) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate
PubChem CID106874714
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate
SMILESCOC(=O)CC1(CN)CCCCC1OC
InChIInChI=1S/C11H21NO3/c1-14-9-5-3-4-6-11(9,8-12)7-10(13)15-2/h9H,3-8,12H2,1-2H3
InChIKeyJFZUKHCYOFPPFZ-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(aminomethyl)-2,3-dimethylcyclohexyl]acetate
CID 66098305
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
2-methoxycyclohexane-1,1-diamine
CID 22418278
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
CID 106874852
1-(aminomethyl)-2-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 106872782
methyl 2-[1-(aminomethyl)-4-tert-butylcycloheptyl]acetate
CID 66096622
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901
methyl 3-(2,3,4,4b,5,6,7,8,8a,8b-decahydro-1H-biphenylen-4a-yl)propanoate
CID 71373305
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate?
The IUPAC name of methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate (CID 106874714) is methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate is COC(=O)CC1(CN)CCCCC1OC.
What is the InChIKey of methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate?
The InChIKey is JFZUKHCYOFPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-9-5-3-4-6-11(9,8-12)7-10(13)15-2/h9H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate?
methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate is sourced from PubChem (CID 106874714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).