trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine

C18H25N3O2 — CID 99856435

IUPACtrans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
SMILESCCc1nnc(CN[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)o1
InChIInChI=1S/C18H25N3O2/c1-3-17-20-21-18(23-17)12-19-15-9-4-5-10-16(15)22-14-8-6-7-13(2)11-14/h6-8,11,15-16,19H,3-5,9-10,12H2,1-2H3/t15-,16-/m0/s1
InChIKeyCSJHVPFVOKOSGG-HOTGVXAUSA-N
MW315.42 g/mol
LogP3.42
Rot. Bonds6

About trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine

trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine (PubChem CID 99856435) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
PubChem CID99856435
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametrans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
SMILESCCc1nnc(CN[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)o1
InChIInChI=1S/C18H25N3O2/c1-3-17-20-21-18(23-17)12-19-15-9-4-5-10-16(15)22-14-8-6-7-13(2)11-14/h6-8,11,15-16,19H,3-5,9-10,12H2,1-2H3/t15-,16-/m0/s1
InChIKeyCSJHVPFVOKOSGG-HOTGVXAUSA-N
XLogP3.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine with MolForge

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Related Compounds

cis-(1R,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 99856434
cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine
CID 99856441
cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 124855195
N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
CID 63474204
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 99835495
2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
CID 63475423
(3-methylphenoxy)cyclononane
CID 145391482
2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137779
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 167754397

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine (CID 99856435) is trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine is CCc1nnc(CN[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)o1.
What is the InChIKey of trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
The InChIKey is CSJHVPFVOKOSGG-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-17-20-21-18(23-17)12-19-15-9-4-5-10-16(15)22-14-8-6-7-13(2)11-14/h6-8,11,15-16,19H,3-5,9-10,12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine has a molecular weight of 315.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 99856435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).