ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate

C16H29NO2 — CID 54867024

IUPACethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-19-16(18)13-9-11-15(12-10-13)17-14-7-5-3-4-6-8-14/h13-15,17H,2-12H2,1H3
InChIKeyDWMAUGOSJDPSIS-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.42
Rot. Bonds4

About ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate

ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate (PubChem CID 54867024) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
PubChem CID54867024
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-19-16(18)13-9-11-15(12-10-13)17-14-7-5-3-4-6-8-14/h13-15,17H,2-12H2,1H3
InChIKeyDWMAUGOSJDPSIS-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate (CID 54867024) is ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC2CCCCCC2)CC1.
What is the InChIKey of ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate?
The InChIKey is DWMAUGOSJDPSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-19-16(18)13-9-11-15(12-10-13)17-14-7-5-3-4-6-8-14/h13-15,17H,2-12H2,1H3.
What are the key properties of ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate?
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 54867024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).