cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C21H35N3O2 — CID 124855964

IUPACcis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCOCCc1noc(CN(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)n1
InChIInChI=1S/C21H35N3O2/c1-25-14-13-20-22-21(26-23-20)15-24(17-11-12-17)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h16-19H,2-15H2,1H3/t18-,19+/m0/s1
InChIKeyCXLMQGMRXLCXSQ-RBUKOAKNSA-N
MW361.53 g/mol
LogP4.36
Rot. Bonds8

About cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 124855964) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID124855964
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Namecis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCOCCc1noc(CN(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)n1
InChIInChI=1S/C21H35N3O2/c1-25-14-13-20-22-21(26-23-20)15-24(17-11-12-17)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h16-19H,2-15H2,1H3/t18-,19+/m0/s1
InChIKeyCXLMQGMRXLCXSQ-RBUKOAKNSA-N
XLogP4.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 124855964) is cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is COCCc1noc(CN(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)n1.
What is the InChIKey of cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is CXLMQGMRXLCXSQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-25-14-13-20-22-21(26-23-20)15-24(17-11-12-17)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h16-19H,2-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 361.53 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-cyclohexyl-N-cyclopropyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 124855964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).