ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate

C17H31NO2 — CID 60934314

IUPACethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCCCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-2-20-17(19)14-10-12-16(13-11-14)18-15-8-6-4-3-5-7-9-15/h14-16,18H,2-13H2,1H3
InChIKeyUWVPSHKIADHHMU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.81
Rot. Bonds4

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

ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate (PubChem CID 60934314) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
PubChem CID60934314
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nameethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCCCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-2-20-17(19)14-10-12-16(13-11-14)18-15-8-6-4-3-5-7-9-15/h14-16,18H,2-13H2,1H3
InChIKeyUWVPSHKIADHHMU-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435
ethyl 4-(oxan-4-ylamino)cyclohexane-1-carboxylate
CID 54866933
ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 103922833
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
N-cyclohexylcyclohexanamine;ethyl 4-(cyclopropanecarbonyl)-3,5-dioxocyclohexane-1-carboxylate
CID 144829544
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 60933460
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
CID 62981321
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate (CID 60934314) is ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC2CCCCCCC2)CC1.
What is the InChIKey of ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate?
The InChIKey is UWVPSHKIADHHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-20-17(19)14-10-12-16(13-11-14)18-15-8-6-4-3-5-7-9-15/h14-16,18H,2-13H2,1H3.
What are the key properties of ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate?
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate has a molecular weight of 281.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 60934314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).