methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate

C14H27NO3 — CID 79637171

IUPACmethyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(OCCC(C)C)C1
InChIInChI=1S/C14H27NO3/c1-11(2)7-9-18-12-6-5-8-14(10-12,15-3)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyHTPHKMXPVKTSFK-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds6

About methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate

methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate (PubChem CID 79637171) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate
PubChem CID79637171
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(OCCC(C)C)C1
InChIInChI=1S/C14H27NO3/c1-11(2)7-9-18-12-6-5-8-14(10-12,15-3)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyHTPHKMXPVKTSFK-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

1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153
1-(methylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637773
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
CID 79649123
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113
methyl 1-(cyclopropylamino)-3-pentoxycyclohexane-1-carboxylate
CID 79637497
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
methyl 1-(methylamino)-4-propan-2-ylcycloheptane-1-carboxylate
CID 65088968

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate (CID 79637171) is methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCC(OCCC(C)C)C1.
What is the InChIKey of methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate?
The InChIKey is HTPHKMXPVKTSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)7-9-18-12-6-5-8-14(10-12,15-3)13(16)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate?
methyl 1-(methylamino)-3-(3-methylbutoxy)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 methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 79637171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).