(1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C16H29N3O2 — CID 97260926

IUPAC(1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCO[C@H](C)c1noc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-10(2)13-7-6-11(3)8-14(13)17-9-15-18-16(19-21-15)12(4)20-5/h10-14,17H,6-9H2,1-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyXRPWXTUCVVCVCM-YIYPIFLZSA-N
MW295.43 g/mol
LogP3.33
Rot. Bonds6

About (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

(1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 97260926) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID97260926
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCO[C@H](C)c1noc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-10(2)13-7-6-11(3)8-14(13)17-9-15-18-16(19-21-15)12(4)20-5/h10-14,17H,6-9H2,1-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyXRPWXTUCVVCVCM-YIYPIFLZSA-N
XLogP3.33
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 124731860
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 104577704
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
(3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632953
(3R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632951
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 115762388
5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 114183211
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 97260926) is (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is CO[C@H](C)c1noc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1.
What is the InChIKey of (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is XRPWXTUCVVCVCM-YIYPIFLZSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-10(2)13-7-6-11(3)8-14(13)17-9-15-18-16(19-21-15)12(4)20-5/h10-14,17H,6-9H2,1-5H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
(1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 97260926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).