ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate

C15H29NO3 — CID 65086215

IUPACethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCCC(C)(C)CC1
InChIInChI=1S/C15H29NO3/c1-5-19-13(17)15(16-11-12-18-4)8-6-7-14(2,3)9-10-15/h16H,5-12H2,1-4H3
InChIKeyUZURIULQJYBNLB-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds6

About ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate

ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate (PubChem CID 65086215) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
PubChem CID65086215
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCCC(C)(C)CC1
InChIInChI=1S/C15H29NO3/c1-5-19-13(17)15(16-11-12-18-4)8-6-7-14(2,3)9-10-15/h16H,5-12H2,1-4H3
InChIKeyUZURIULQJYBNLB-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
CID 64516424
methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate
CID 80700254
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 62541011
methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate
CID 114818425
ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate
CID 13282852
ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
CID 106873125
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-(ethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088045
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate (CID 65086215) is ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate is CCOC(=O)C1(NCCOC)CCCC(C)(C)CC1.
What is the InChIKey of ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate?
The InChIKey is UZURIULQJYBNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-19-13(17)15(16-11-12-18-4)8-6-7-14(2,3)9-10-15/h16H,5-12H2,1-4H3.
What are the key properties of ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate?
ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate is sourced from PubChem (CID 65086215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).