ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate

C18H33NO2 — CID 103922833

IUPACethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCCC(C(C)C)C2)CC1
InChIInChI=1S/C18H33NO2/c1-4-21-18(20)14-8-10-16(11-9-14)19-17-7-5-6-15(12-17)13(2)3/h13-17,19H,4-12H2,1-3H3
InChIKeySQWLBOFXLUAKMF-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.91
Rot. Bonds5

About ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate

ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate (PubChem CID 103922833) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate
PubChem CID103922833
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Nameethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCCC(C(C)C)C2)CC1
InChIInChI=1S/C18H33NO2/c1-4-21-18(20)14-8-10-16(11-9-14)19-17-7-5-6-15(12-17)13(2)3/h13-17,19H,4-12H2,1-3H3
InChIKeySQWLBOFXLUAKMF-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
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CID 60934435
ethyl 4-(oxan-4-ylamino)cyclohexane-1-carboxylate
CID 54866933
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
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ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 60933460
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
CID 104526787
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate
CID 54866931

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate (CID 103922833) is ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC2CCCC(C(C)C)C2)CC1.
What is the InChIKey of ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate?
The InChIKey is SQWLBOFXLUAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-21-18(20)14-8-10-16(11-9-14)19-17-7-5-6-15(12-17)13(2)3/h13-17,19H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 103922833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).