cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine

C17H29N3O — CID 58477049

IUPACcis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine
SMILESCC1(C)[C@H](Cc2noc(C3CCCCC3)n2)CC[C@]1(C)N
InChIInChI=1S/C17H29N3O/c1-16(2)13(9-10-17(16,3)18)11-14-19-15(21-20-14)12-7-5-4-6-8-12/h12-13H,4-11,18H2,1-3H3/t13-,17-/m0/s1
InChIKeyCGWJDZBVEWNKAC-GUYCJALGSA-N
MW291.44 g/mol
LogP3.81
Rot. Bonds3

About cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine

cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine (PubChem CID 58477049) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine
PubChem CID58477049
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Namecis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine
SMILESCC1(C)[C@H](Cc2noc(C3CCCCC3)n2)CC[C@]1(C)N
InChIInChI=1S/C17H29N3O/c1-16(2)13(9-10-17(16,3)18)11-14-19-15(21-20-14)12-7-5-4-6-8-12/h12-13H,4-11,18H2,1-3H3/t13-,17-/m0/s1
InChIKeyCGWJDZBVEWNKAC-GUYCJALGSA-N
XLogP3.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine (CID 58477049) is cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine is CC1(C)[C@H](Cc2noc(C3CCCCC3)n2)CC[C@]1(C)N.
What is the InChIKey of cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine?
The InChIKey is CGWJDZBVEWNKAC-GUYCJALGSA-N. The full InChI is InChI=1S/C17H29N3O/c1-16(2)13(9-10-17(16,3)18)11-14-19-15(21-20-14)12-7-5-4-6-8-12/h12-13H,4-11,18H2,1-3H3/t13-,17-/m0/s1.
What are the key properties of cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine?
cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 58477049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).