methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate

C14H27NO3 — CID 114208559

IUPACmethyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate
SMILESCCC(CC)COC1CCCC(N)(C(=O)OC)C1
InChIInChI=1S/C14H27NO3/c1-4-11(5-2)10-18-12-7-6-8-14(15,9-12)13(16)17-3/h11-12H,4-10,15H2,1-3H3
InChIKeyPVYIHPCQHWPMFV-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.25
Rot. Bonds6

About methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate

methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate (PubChem CID 114208559) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate
PubChem CID114208559
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate
SMILESCCC(CC)COC1CCCC(N)(C(=O)OC)C1
InChIInChI=1S/C14H27NO3/c1-4-11(5-2)10-18-12-7-6-8-14(15,9-12)13(16)17-3/h11-12H,4-10,15H2,1-3H3
InChIKeyPVYIHPCQHWPMFV-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-amino-3-(2-ethylbutoxy)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

Related Compounds

methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
CID 106204408
methyl 1-amino-3-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylate
CID 79638001
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate
CID 79649404
butyl 1-amino-3-methoxycyclohexane-1-carboxylate
CID 151543053
methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79636591
methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
CID 114208545
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
3-(2-ethylhexoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79638073
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate (CID 114208559) is methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate is CCC(CC)COC1CCCC(N)(C(=O)OC)C1.
What is the InChIKey of methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate?
The InChIKey is PVYIHPCQHWPMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-11(5-2)10-18-12-7-6-8-14(15,9-12)13(16)17-3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate?
methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 114208559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).