ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate

C14H27NO3 — CID 106873112

IUPACethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCCCC1OC
InChIInChI=1S/C14H27NO3/c1-5-11(3)15-14(13(16)18-6-2)10-8-7-9-12(14)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyGFRUSBIRQPNLFH-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds6

About ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate

ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate (PubChem CID 106873112) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
PubChem CID106873112
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCCCC1OC
InChIInChI=1S/C14H27NO3/c1-5-11(3)15-14(13(16)18-6-2)10-8-7-9-12(14)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyGFRUSBIRQPNLFH-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-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

Related Compounds

ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 106873081
ethyl 2-methoxy-1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 106873124
ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
CID 106873125
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
CID 65044720
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
CID 82718161
ethyl 1-(2-chloroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106872999
2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 106872898
1-(butan-2-ylamino)-2-methoxycyclohexane-1-carbonitrile
CID 106872921
ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 106874628
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
CID 114818417
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate (CID 106873112) is ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate is CCOC(=O)C1(NC(C)CC)CCCCC1OC.
What is the InChIKey of ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate?
The InChIKey is GFRUSBIRQPNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-11(3)15-14(13(16)18-6-2)10-8-7-9-12(14)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate?
ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 106873112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).