ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate

C17H32N2O2 — CID 65075658

IUPACethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
SMILESCCOC(=O)C1(NC2CCCCC2)CCCN(CC)CC1
InChIInChI=1S/C17H32N2O2/c1-3-19-13-8-11-17(12-14-19,16(20)21-4-2)18-15-9-6-5-7-10-15/h15,18H,3-14H2,1-2H3
InChIKeyBQZNUNLDZLULQK-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.72
Rot. Bonds5

About ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate

ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate (PubChem CID 65075658) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
PubChem CID65075658
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
SMILESCCOC(=O)C1(NC2CCCCC2)CCCN(CC)CC1
InChIInChI=1S/C17H32N2O2/c1-3-19-13-8-11-17(12-14-19,16(20)21-4-2)18-15-9-6-5-7-10-15/h15,18H,3-14H2,1-2H3
InChIKeyBQZNUNLDZLULQK-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
methyl 4-(cyclohexylamino)-1-propylazepane-4-carboxylate
CID 65075656
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
CID 63524112
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 60787165
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
ethyl 3-(cycloheptylamino)-5-methylthiolane-3-carboxylate
CID 79949178
1-ethyl-4-(methylamino)azepane-4-carboxylic acid
CID 65075798
ethyl 4-(butan-2-ylamino)-1-propylazepane-4-carboxylate
CID 65076013

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate (CID 65075658) is ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate is CCOC(=O)C1(NC2CCCCC2)CCCN(CC)CC1.
What is the InChIKey of ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate?
The InChIKey is BQZNUNLDZLULQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-19-13-8-11-17(12-14-19,16(20)21-4-2)18-15-9-6-5-7-10-15/h15,18H,3-14H2,1-2H3.
What are the key properties of ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate?
ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate is sourced from PubChem (CID 65075658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).