ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate

C15H25NO3 — CID 62064593

IUPACethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H25NO3/c1-2-18-15(17)12-6-8-13(9-7-12)16-11-14-5-3-4-10-19-14/h4,10,12-14,16H,2-3,5-9,11H2,1H3
InChIKeyBJGUDZHMJTXHOR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds5

About ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate

ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate (PubChem CID 62064593) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate
PubChem CID62064593
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H25NO3/c1-2-18-15(17)12-6-8-13(9-7-12)16-11-14-5-3-4-10-19-14/h4,10,12-14,16H,2-3,5-9,11H2,1H3
InChIKeyBJGUDZHMJTXHOR-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate (CID 62064593) is ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate?
The InChIKey is BJGUDZHMJTXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-18-15(17)12-6-8-13(9-7-12)16-11-14-5-3-4-10-19-14/h4,10,12-14,16H,2-3,5-9,11H2,1H3.
What are the key properties of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate?
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 62064593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).