methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate

C14H25NO2 — CID 64514041

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

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

methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate (PubChem CID 64514041) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate
PubChem CID64514041
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CCC(C)C1
InChIInChI=1S/C14H25NO2/c1-11-8-9-14(10-11,13(16)17-2)15-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyKDRHYBJBFKBDNL-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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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate (CID 64514041) is methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate is COC(=O)C1(NC2CCCCC2)CCC(C)C1.
What is the InChIKey of methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate?
The InChIKey is KDRHYBJBFKBDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-8-9-14(10-11,13(16)17-2)15-12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate?
methyl 1-(cyclohexylamino)-3-methylcyclopentane-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 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 64514041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).