methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate

C14H25NO2 — CID 113351735

IUPACmethyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-17-14(16)11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h11-13,15H,2-10H2,1H3
InChIKeyJTYVEFPWKJWODO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds3

About methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate

methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate (PubChem CID 113351735) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
PubChem CID113351735
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-17-14(16)11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h11-13,15H,2-10H2,1H3
InChIKeyJTYVEFPWKJWODO-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
cis-methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 58952956
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
methyl 3-hydroxycyclohexane-1-carboxylate;hydrate
CID 172848258
trans-methyl (1S,3S)-3-sulfanylcyclohexane-1-carboxylate
CID 159774506
methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 83999822

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate (CID 113351735) is methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate is COC(=O)C1CCCC(NC2CCCCC2)C1.
What is the InChIKey of methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate?
The InChIKey is JTYVEFPWKJWODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-17-14(16)11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h11-13,15H,2-10H2,1H3.
What are the key properties of methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate?
methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 113351735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).