ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate

C14H27NO3 — CID 106873081

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

About ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate

ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate (PubChem CID 106873081) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
PubChem CID106873081
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NCC(C)C)CCCCC1OC
InChIInChI=1S/C14H27NO3/c1-5-18-13(16)14(15-10-11(2)3)9-7-6-8-12(14)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyMBENWSBIABXPMG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 106872898
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-methoxycyclohexane-1-carboxylate
CID 106873112
ethyl 1-(2-chloroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106872999
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide
CID 106872875
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
methyl 1-(3-azidopropylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873198
ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 106874628
ethyl 1-(1,4-diazepan-1-yl)-2-methoxycyclohexane-1-carboxylate
CID 106873028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate (CID 106873081) is ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NCC(C)C)CCCCC1OC.
What is the InChIKey of ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The InChIKey is MBENWSBIABXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-18-13(16)14(15-10-11(2)3)9-7-6-8-12(14)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 106873081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).