3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate

C14H27NO4 — CID 103403497

IUPAC3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCOCCOCCCOC(=O)C1(N)CCC(C)CC1
InChIInChI=1S/C14H27NO4/c1-12-4-6-14(15,7-5-12)13(16)19-9-3-8-18-11-10-17-2/h12H,3-11,15H2,1-2H3
InChIKeyAKFDBBSGIAYOJD-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.49
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate

3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate (PubChem CID 103403497) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
PubChem CID103403497
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCOCCOCCCOC(=O)C1(N)CCC(C)CC1
InChIInChI=1S/C14H27NO4/c1-12-4-6-14(15,7-5-12)13(16)19-9-3-8-18-11-10-17-2/h12H,3-11,15H2,1-2H3
InChIKeyAKFDBBSGIAYOJD-UHFFFAOYSA-N
XLogP1.49
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 1-aminocyclohexanecarboxylate
CID 222863
Methyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 10888360
Ethyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 11241228
Rac-methyl (1r,4r)-1-amino-4-methylcyclohexane-1-carboxylate hydrochloride
CID 21873084
Ethyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate;hydrochloride
CID 22561613
Ethyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 22561614
Ethyl 1-amino-4-(difluoromethyl)cyclohexane-1-carboxylate
CID 137939376
2-Methylpropyl 1-aminocyclohexane-1-carboxylate
CID 19897199
Methyl 1-aMino-4-ethylcyclohexanecarboxylate
CID 43162944
Ethyl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 43163086
Ethyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 43163087
Propyl 1-aminocyclohexane-1-carboxylate
CID 43248027

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate (CID 103403497) is 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate is COCCOCCCOC(=O)C1(N)CCC(C)CC1.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate?
The InChIKey is AKFDBBSGIAYOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-12-4-6-14(15,7-5-12)13(16)19-9-3-8-18-11-10-17-2/h12H,3-11,15H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate?
3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate has a molecular weight of 273.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 103403497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).