cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride

C15H28ClN3O — CID 67442408

IUPACcis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride
SMILESCC(C)(C)c1nc(C[C@@H]2CC[C@](C)(N)C2(C)C)no1.Cl
InChIInChI=1S/C15H27N3O.ClH/c1-13(2,3)12-17-11(18-19-12)9-10-7-8-15(6,16)14(10,4)5;/h10H,7-9,16H2,1-6H3;1H/t10-,15-;/m0./s1
InChIKeyLHOFLXDLACRNTQ-UQZWWXTDSA-N
MW301.86 g/mol
LogP3.48
Rot. Bonds2

About cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride

cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride (PubChem CID 67442408) has the molecular formula C15H28ClN3O and a molecular weight of 301.86 g/mol. Its IUPAC name is cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride
PubChem CID67442408
Molecular FormulaC15H28ClN3O
Molecular Weight301.86 g/mol
Exact Mass301.19
IUPAC Namecis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride
SMILESCC(C)(C)c1nc(C[C@@H]2CC[C@](C)(N)C2(C)C)no1.Cl
InChIInChI=1S/C15H27N3O.ClH/c1-13(2,3)12-17-11(18-19-12)9-10-7-8-15(6,16)14(10,4)5;/h10H,7-9,16H2,1-6H3;1H/t10-,15-;/m0./s1
InChIKeyLHOFLXDLACRNTQ-UQZWWXTDSA-N
XLogP3.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.48
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-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride (CID 67442408) is cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride is CC(C)(C)c1nc(C[C@@H]2CC[C@](C)(N)C2(C)C)no1.Cl.
What is the InChIKey of cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride?
The InChIKey is LHOFLXDLACRNTQ-UQZWWXTDSA-N. The full InChI is InChI=1S/C15H27N3O.ClH/c1-13(2,3)12-17-11(18-19-12)9-10-7-8-15(6,16)14(10,4)5;/h10H,7-9,16H2,1-6H3;1H/t10-,15-;/m0./s1.
What are the key properties of cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride?
cis-(1S,3S)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 3.48, 2 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-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,2-trimethylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 67442408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).